Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:34:06 UTC |
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Updated at | 2021-06-29 23:50:24 UTC |
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NP-MRD ID | NP0025441 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Artocarpol F |
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Provided By | JEOL Database |
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Description | Artocarpol F is found in Artocarpus rigida. It was first documented in 2003 (PMID: 14653705). Based on a literature review very few articles have been published on Artocarpol F. |
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Structure | [H]OC1=C([H])C2=C(C([H])=C1[H])C1=C(C3=C(O2)C([H])=C(O[H])C(=C3[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]2([H])O[C@]3([H])[C@@]([H])(OC3(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]2(O1)C([H])([H])[H] InChI=1S/C29H32O6/c1-15(2)6-7-16-10-19-20-12-25-29(5,14-24-27(33-25)28(3,4)34-24)35-26(20)18-9-8-17(30)11-22(18)32-23(19)13-21(16)31/h6,8-11,13,24-25,27,30-31H,7,12,14H2,1-5H3/t24-,25+,27+,29+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C29H32O6 |
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Average Mass | 476.5690 Da |
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Monoisotopic Mass | 476.21989 Da |
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IUPAC Name | (17R,19S,22R,24R)-17,21,21-trimethyl-4-(3-methylbut-2-en-1-yl)-8,16,20,23-tetraoxahexacyclo[13.10.0.0^{2,7}.0^{9,14}.0^{17,24}.0^{19,22}]pentacosa-1(15),2(7),3,5,9(14),10,12-heptaene-5,11-diol |
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Traditional Name | (17R,19S,22R,24R)-17,21,21-trimethyl-4-(3-methylbut-2-en-1-yl)-8,16,20,23-tetraoxahexacyclo[13.10.0.0^{2,7}.0^{9,14}.0^{17,24}.0^{19,22}]pentacosa-1(15),2(7),3,5,9(14),10,12-heptaene-5,11-diol |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C([H])C2=C(C([H])=C1[H])C1=C(C3=C(O2)C([H])=C(O[H])C(=C3[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]2([H])O[C@]3([H])[C@@]([H])(OC3(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]2(O1)C([H])([H])[H] |
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InChI Identifier | InChI=1S/C29H32O6/c1-15(2)6-7-16-10-19-20-12-25-29(5,14-24-27(33-25)28(3,4)34-24)35-26(20)18-9-8-17(30)11-22(18)32-23(19)13-21(16)31/h6,8-11,13,24-25,27,30-31H,7,12,14H2,1-5H3/t24-,25+,27+,29+/m0/s1 |
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InChI Key | XXVRWZMAWSOZIN-HLBHGXTFSA-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, 500 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, acetone-d6, 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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Artocarpus rigida | JEOL database | - Ko, H.-H., et al, Tetrahedron Letts. 42, 5269 (2002)
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dibenzoxepines. Dibenzoxepines are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzoxepines |
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Sub Class | Dibenzoxepines |
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Direct Parent | Dibenzoxepines |
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Alternative Parents | |
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Substituents | - Dibenzoxepine
- Diaryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Oxane
- Monosaccharide
- Oxetane
- Oxacycle
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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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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