| SpectraBase Compound ID | 7rXsYaYwkgd |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23?,24-,26-,27-/m0/s1 |
| InChIKey | RVWQZLJUVIFAOY-NCHAJKGWSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 38bOXlFt6RS |
|---|---|
| Name | Cavernosolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23?,24-,26-,27-/m0/s1 |
| InChIKey | RVWQZLJUVIFAOY-NCHAJKGWSA-N |
| Molecular Weight | 460.611 g/mol |
| SMILES | OC1C([C@@]2(O[C@](OC(=O)C)([C@@]3([C@]([C@]4([C@]([C@]5(CCCC([C@@]5(CC4)[H])(C)C)C)([H])CC3)C)(C2)[H])[H])[H])[H])=CC(=O)O1 |
| SPLASH | splash10-001i-7900000000-b70a8d81c9ac67757973 |
| Source of Spectrum | G4-60-845-3 |
| Synonyms | Acetic acid [(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-(2-hydroxy-5-oxo-2H-furan-3-yl)-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f][2]benzopyran-1-yl] ester [(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-(2-hydroxy-5-oxo-2H-furan-3-yl)-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate [(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-4b,7,7,10a-tetramethyl-3-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] ethanoate |
| Wiley ID | 1606774 |