| Record Information |
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| Version | 2.0 |
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| Created at | 2025-07-03 08:45:20 UTC |
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| Updated at | 2025-07-04 01:02:08 UTC |
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| NP-MRD ID | NP0351275 |
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| Natural Product DOI | https://doi.org/10.57994/4266 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 15α-Hydroxyjervine |
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| Description | 15α-Hydroxyjervine was first documented in 2025 (PMID: 40555354). Based on a literature review very few articles have been published on 15α-Hydroxyjervine. |
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| Structure | [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(C[C@H](O)[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C InChI=1S/C27H39NO4/c1-13-9-20-24(28-12-13)15(3)27(32-20)11-19(30)22-18-6-5-16-10-17(29)7-8-26(16,4)23(18)25(31)21(22)14(27)2/h5,13,15,17-20,22-24,28-30H,6-12H2,1-4H3/t13-,15+,17-,18-,19-,20+,22+,23+,24-,26-,27-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C27H39NO4 |
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| Average Mass | 441.6120 Da |
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| Monoisotopic Mass | 441.28791 Da |
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| IUPAC Name | (3S,3'R,3'aS,6'S,6aS,6bS,7S,7'aR,9R,11aS,11bR)-3,7-dihydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one |
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| Traditional Name | (3S,3'R,3'aS,6'S,6aS,6bS,7S,7'aR,9R,11aS,11bR)-3,7-dihydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a-hexadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(C[C@H](O)[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C |
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| InChI Identifier | InChI=1S/C27H39NO4/c1-13-9-20-24(28-12-13)15(3)27(32-20)11-19(30)22-18-6-5-16-10-17(29)7-8-26(16,4)23(18)25(31)21(22)14(27)2/h5,13,15,17-20,22-24,28-30H,6-12H2,1-4H3/t13-,15+,17-,18-,19-,20+,22+,23+,24-,26-,27-/m0/s1 |
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| InChI Key | LFJVYCHFYVWQSA-IPJWKJCESA-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, 101 MHz, CD3OD, experimental) | Not Available | KIB | DUDU | 2025-07-03 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | Not Available | KIB | DUDU | 2025-07-03 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | Not Available | KIB | DUDU | 2025-07-03 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 150.0 MHz, CD3OD, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600.0 MHz, CD3OD, experimental) | 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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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 600.0, CD3OD, simulated) | 2463651819@qq.com | KIB | DUDU | 2025-07-03 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 150.0, CD3OD, simulated) | 2463651819@qq.com | KIB | DUDU | 2025-07-03 | View Spectrum |
| | Species |
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| Species of Origin | |
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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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