NP-MRD: Browsing natural products

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0332497

sinicanone B

Not Available

C₂₇H₄₃NO₂

413.6460 Da
413.32938 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332496

sinicanone A

Not Available

C₂₇H₄₃NO₂

413.6460 Da
413.32938 Da

¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332495

sinicanone B-3-O--D-glucopyranoside

Not Available

C₃₃H₅₃NO₇

575.7870 Da
575.38220 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332494

puqiedinone-β-N-oxide

Not Available

C₂₇H₄₃NO₃

429.6450 Da
429.32429 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332493

Heilonine B

Not Available

C₂₇H₃₉NO₂

409.6140 Da
409.29808 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332492

13-isopetilidine-β-N-oxide

Not Available

C₂₇H₄₅NO₃

431.6610 Da
431.33994 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332491

chuanbeinonoside A

Not Available

C₃₃H₅₃NO₇

575.7870 Da
575.38220 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332490

13-isopuqiedinone-β-N-oxide

Not Available

C₂₇H₄₃NO₃

429.6450 Da
429.32429 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332489

petilidine-β-N-oxide

Not Available

C₂₇H₄₅NO₃

431.6610 Da
431.33994 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332488

sinicanine A

Not Available

C₂₇H₄₅NO₂

415.6620 Da
415.34503 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0332487

(S)-2-((3S,6S)-6-methyl-6-((E)-4-methyl-6-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)hex-3-en-1-yl)-1,2-dioxan-3-yl)propanoic acid

Not Available

C₂₄H₃₈O₅

406.5630 Da
406.27192 Da

¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332486

(R)-2-((3R,6S)-6-methyl-6-(2-((1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydronaphthalen-1-yl)ethyl)-1,2-dioxan-3-yl)propanoic acid

Not Available

C₂₄H₄₀O₄

392.5800 Da
392.29266 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332485

methyl (S)-2-((3S,6R)-6-methyl-6-((E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hex-3-en-1-yl)-1,2-dioxan-3-yl)propanoate

Not Available

C₂₅H₄₂O₄

406.6070 Da
406.30831 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332484

(S)-2-((3S,6R)-6-methyl-6-((E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hex-3-en-1-yl)-1,2-dioxan-3-yl)propanoic acid

Not Available

C₂₄H₄₀O₄

392.5800 Da
392.29266 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332483

methyl (R)-2-((3R,6R)-6-(2-(2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl)ethyl)-6-methyl-1,2-dioxan-3-yl)propanoate

Not Available

C₂₀H₃₄O₅

354.4870 Da
354.24062 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332482

methyl (2R)-2-((3S,6R)-6-(2-(3-methoxy-2,6,6-trimethylcyclohex-1-en-1-yl)ethyl)-6-methyl-1,2-dioxan-3-yl)propanoate

Not Available

C₂₁H₃₆O₅

368.5140 Da
368.25627 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332481

methyl (2R)-2-((3R,6R)-6-(2-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)ethyl)-6-methyl-1,2-dioxan-3-yl)propanoate

Not Available

C₂₀H₃₄O₅

354.4870 Da
354.24062 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332480

methyl (2R)-2-((3S,6R)-6-(2-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)ethyl)-6-methyl-1,2-dioxan-3-yl)propanoate

Not Available

C₂₀H₃₄O₅

354.4870 Da
354.24062 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332479

methyl (R)-2-((3R,6S)-6-methyl-6-(2-((1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydronaphthalen-1-yl)ethyl)-1,2-dioxan-3-yl)propanoate

Not Available

C₂₅H₄₂O₄

406.6070 Da
406.30831 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332478

methyl (2R)-2-((3R,6R)-6-(2-(3-methoxy-2,6,6-trimethylcyclohex-1-en-1-yl)ethyl)-6-methyl-1,2-dioxan-3-yl)propanoate

Not Available

C₂₁H₃₆O₅

368.5140 Da
368.25627 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332477

(+)-melodinine E

Not Available

C₁₉H₂₀N₂O₂

308.3810 Da
308.15248 Da

[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 700 MHz, CDCl3, experimental)

NP0332476

Ile-alpha-epi-thermoactinoamide A

Not Available

C₃₈H₆₂N₆O₇

714.9490 Da
714.46800 Da

¹³C NMR Spectrum (1D, 176 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 700 MHz, CD3OD, experimental)

NP0332475

Val-epi-thermoactinoamide A

Not Available

C₃₈H₆₂N₆O₇

714.9490 Da
714.46800 Da

¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 700 MHz, CD3OD, experimental)

NP0332474

(6R)-3,6'-Bis((1S)-1-((4S,4aR,5aR,6bS,9R,9aS,11aS,11bR)-4-hydroxy-9a,11b-dimethyl-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-9-yl)ethyl)-4'-methylene-3,4,5',6',7,8-hexahydro-2'H,4'H-spiro[isochromene-6,3'-pyran]-1,2'(5H)-dione

Not Available

C₅₆H₇₂O₁₀

905.1820 Da
904.51255 Da

¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332473

(4S,4aS,4'S,4a'S,5aR,5a'R,6bS,6b'S,9R,9aS,9'R,9a'S,11aS,11bR,11a'S,11b'R)-((1S,1'S)-((3S,6R,6'S)-4'-methylene-1,2'-dioxo-1,3,4,5,5',6',7,8-octahydro-2'H,4'H-spiro[isochromene-6,3'-pyran]-3,6'-diyl)bis(ethane-1,1-diyl))bis(9a,11b-dimethyl-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-9,4-diyl) diacetate

Not Available

C₆₀H₇₆O₁₂

989.2560 Da
988.53368 Da

¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

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