Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:43:51 UTC |
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Updated at | 2021-06-29 23:50:45 UTC |
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NP-MRD ID | NP0025662 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 3-epi-O-methyl-scilliphaeosidin |
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Provided By | JEOL Database |
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Description | 3-epi-O-methyl-scilliphaeosidin is found in Urginea maritima. It was first documented in 2021 (PMID: 34352962). Based on a literature review a significant number of articles have been published on 3alpha-Methoxy-12beta,14-dihydroxybufa-4,20,22-trienolide (PMID: 34352961) (PMID: 34352960) (PMID: 34352959) (PMID: 34352958) (PMID: 34352957) (PMID: 34352956). |
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Structure | [H]O[C@]1([H])C([H])([H])[C@@]2([H])[C@@]([H])(C([H])([H])C([H])([H])C3=C([H])[C@]([H])(OC([H])([H])[H])C([H])([H])C([H])([H])[C@]23C([H])([H])[H])[C@@]2(O[H])C([H])([H])C([H])([H])[C@]([H])(C3=C([H])OC(=O)C([H])=C3[H])[C@@]12C([H])([H])[H] InChI=1S/C25H34O5/c1-23-10-8-17(29-3)12-16(23)5-6-19-20(23)13-21(26)24(2)18(9-11-25(19,24)28)15-4-7-22(27)30-14-15/h4,7,12,14,17-21,26,28H,5-6,8-11,13H2,1-3H3/t17-,18-,19-,20+,21-,23+,24+,25+/m1/s1 |
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Synonyms | Value | Source |
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3a-Methoxy-12b,14-dihydroxybufa-4,20,22-trienolide | Generator | 3Α-methoxy-12β,14-dihydroxybufa-4,20,22-trienolide | Generator |
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Chemical Formula | C25H34O5 |
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Average Mass | 414.5420 Da |
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Monoisotopic Mass | 414.24062 Da |
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IUPAC Name | 5-[(1S,2R,5R,10R,11S,14S,15S,16R)-11,16-dihydroxy-5-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]-2H-pyran-2-one |
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Traditional Name | 5-[(1S,2R,5R,10R,11S,14S,15S,16R)-11,16-dihydroxy-5-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]pyran-2-one |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@]1([H])C([H])([H])[C@@]2([H])[C@@]([H])(C([H])([H])C([H])([H])C3=C([H])[C@]([H])(OC([H])([H])[H])C([H])([H])C([H])([H])[C@]23C([H])([H])[H])[C@@]2(O[H])C([H])([H])C([H])([H])[C@]([H])(C3=C([H])OC(=O)C([H])=C3[H])[C@@]12C([H])([H])[H] |
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InChI Identifier | InChI=1S/C25H34O5/c1-23-10-8-17(29-3)12-16(23)5-6-19-20(23)13-21(26)24(2)18(9-11-25(19,24)28)15-4-7-22(27)30-14-15/h4,7,12,14,17-21,26,28H,5-6,8-11,13H2,1-3H3/t17-,18-,19-,20+,21-,23+,24+,25+/m1/s1 |
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InChI Key | LJZHYURIHAAOET-LTRIRULVSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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Drimia maritima | JEOL database | - IIzuka, M., et al, Chem. Pharm. Bull. 49, 282 (2001)
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Velazquez-Mujica J, Losco L, Aksoyler D, Chen HC: Perforator-to-perforator anastomosis as a salvage procedure during harvest of a perforator flap. Arch Plast Surg. 2021 Jul;48(4):467-469. doi: 10.5999/aps.2020.02194. Epub 2021 Jul 15. [PubMed:34352962 ]
- Santamaria E, Nahas-Combina L, Altamirano-Arcos C, Vargas-Flores E: Seven steps to deliver a low-cost, efficient, and high-impact online plastic surgery course during COVID-19 confinement: master series microsurgery for residents' experience. Arch Plast Surg. 2021 Jul;48(4):462-466. doi: 10.5999/aps.2021.00360. Epub 2021 Jul 15. [PubMed:34352961 ]
- Marchesi A, Garieri P, Amendola F, Marcelli S, Vaienti L: Intraoperative near-infrared spectroscopy for pedicled perforator flaps: a possible tool for the early detection of vascular issues. Arch Plast Surg. 2021 Jul;48(4):457-461. doi: 10.5999/aps.2019.00311. Epub 2021 Jul 15. [PubMed:34352960 ]
- Oh D, Son D, Kim J, Kwon SY: Freeze-dried bovine amniotic membrane as a cell delivery scaffold in a porcine model of radiation-induced chronic wounds. Arch Plast Surg. 2021 Jul;48(4):448-456. doi: 10.5999/aps.2020.00997. Epub 2021 Jul 15. [PubMed:34352959 ]
- Takaya K, Matsuda N, Asou T, Kishi K: Brown preadipocyte transplantation locally ameliorates obesity. Arch Plast Surg. 2021 Jul;48(4):440-447. doi: 10.5999/aps.2020.02257. Epub 2021 Jul 15. [PubMed:34352958 ]
- Saricilar EC, Huang S: Comparison of porcine and human acellular dermal matrix outcomes in wound healing: a deep dive into the evidence. Arch Plast Surg. 2021 Jul;48(4):433-439. doi: 10.5999/aps.2020.02306. Epub 2021 Jul 15. [PubMed:34352957 ]
- Will PA, Hirche C, Berner JE, Kneser U, Gazyakan E: Lymphovenous anastomoses with three-dimensional digital hybrid visualization: improving ergonomics for supermicrosurgery in lymphedema. Arch Plast Surg. 2021 Jul;48(4):427-432. doi: 10.5999/aps.2020.01949. Epub 2021 Jul 15. [PubMed:34352956 ]
- Vathulya M, Dhingra M, Nongdamba H, Chattopadhyay D, Kapoor A, Dhingra VK, Mago V, Kandwal P: Evaluation of pedicled flaps for type IIIB open fractures of the tibia at a tertiary care center. Arch Plast Surg. 2021 Jul;48(4):417-426. doi: 10.5999/aps.2020.02089. Epub 2021 Jul 15. [PubMed:34352955 ]
- Beecher SM, Cahill KC, Theopold C: Pedicled sural flaps versus free anterolateral thigh flaps in reconstruction of dorsal foot and ankle defects in children: a systematic review. Arch Plast Surg. 2021 Jul;48(4):410-416. doi: 10.5999/aps.2020.00983. Epub 2021 Jul 15. [PubMed:34352954 ]
- Nicksic PJ, Condit KM, Nayar HS, Michelotti BF: Algorithmic approach to the lymphatic leak after vascular reconstruction: a systematic review. Arch Plast Surg. 2021 Jul;48(4):404-409. doi: 10.5999/aps.2020.02075. Epub 2021 Jul 15. [PubMed:34352953 ]
- Schaffer C, Haselbach D, Schiraldi L, Sorelius K, Kalbermatten DF, Raffoul W, di Summa PG: Abdominal-based adipocutaneous advancement flap for reconstructing inguinal defects with contraindications to standard reconstructive approaches: a simple and safe salvage reconstructive option. Arch Plast Surg. 2021 Jul;48(4):395-403. doi: 10.5999/aps.2019.01795. Epub 2021 Jul 15. [PubMed:34352952 ]
- Park KC, Choi HJ: Impaction of a continuous glucose monitoring sensor. Arch Plast Surg. 2021 Jul;48(4):392-394. doi: 10.5999/aps.2021.00178. Epub 2021 Jul 15. [PubMed:34352951 ]
- Jain A: Jain's hand retractor system and stand: an innovative device for hand surgery. Arch Plast Surg. 2021 Jul;48(4):389-391. doi: 10.5999/aps.2021.00409. Epub 2021 Jul 15. [PubMed:34352950 ]
- Papavasiliou T, Park PD, Tejero R, Allain N, Uppal L: Open reduction and internal fixation of metacarpal fractures using a thermoplastic splint as a surgical instrument. Arch Plast Surg. 2021 Jul;48(4):384-388. doi: 10.5999/aps.2021.00122. Epub 2021 Jul 15. [PubMed:34352949 ]
- Son TT, Dung PTV, Thuy TTH, Kien VD, Liem NT: The role of rapid tissue expansion in separating xipho-omphalopagus conjoined twins in Vietnam. Arch Plast Surg. 2021 Jul;48(4):378-383. doi: 10.5999/aps.2020.02467. Epub 2021 Jul 15. [PubMed:34352948 ]
- IIzuka, M., et al. (2001). IIzuka, M., et al, Chem. Pharm. Bull. 49, 282 (2001). Chem. Pharm. Bull..
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