![Wityasomniferol B [5.alpha.,20.alpha.-f(R)-Dihydroxy-6.alpha.,7.alpha.-epoxy-1-oxowitha-2-enolide]](/api/spectrum/DJVZZg9RIjZ/structure.png?h=300&w=458 "Wityasomniferol B [5.alpha.,20.alpha.-f(R)-Dihydroxy-6.alpha.,7.alpha.-epoxy-1-oxowitha-2-enolide]")
| SpectraBase Compound ID | 9bpuvRwdlZa |
|---|---|
| InChI | InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14?,15?,16?,17?,18?,20?,21?,22-,23-,25+,26+,27?,28-/m1/s1 |
| InChIKey | MLMDWCVFKUVZGH-VTWFYVRRSA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C28H40O6 |
| Exact Mass | 472.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DJVZZg9RIjZ |
|---|---|
| Name | Wityasomniferol B [5.alpha.,20.alpha.-f(R)-Dihydroxy-6.alpha.,7.alpha.-epoxy-1-oxowitha-2-enolide] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O6 |
| InChI | InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14?,15?,16?,17?,18?,20?,21?,22-,23-,25+,26+,27?,28-/m1/s1 |
| InChIKey | MLMDWCVFKUVZGH-VTWFYVRRSA-N |
| Molecular Weight | 472.622 g/mol |
| SMILES | OC(C1[C@@]2(C(C3[C@@]4([C@]([C@]5([C@@](C3CC2)(C(=O)C=CC5)C)O)(O4)[H])[H])CC1)C)(C1OC(=O)C(C(C1)C)C)C |
| SPLASH | splash10-00fu-0916000000-dbd79572f3b93b053951 |
| Source of Spectrum | Y1-36-432-6 |
| Wiley ID | 1527014 |