| SpectraBase Compound ID | 9SOCzsz93Wf |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-18-17-24(32)28(6)15-16-29(7)20(25(28)19(18)2)9-10-22-27(5)13-12-23(31)26(3,4)21(27)11-14-30(22,29)8/h17,19-25,31-32H,9-16H2,1-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28+,29-,30-/m1/s1 |
| InChIKey | NXPZMHDVGSXPBE-KSSFHQQUSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GHAybDX4WEF |
|---|---|
| Name | (3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,9-diol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-18-17-24(32)28(6)15-16-29(7)20(25(28)19(18)2)9-10-22-27(5)13-12-23(31)26(3,4)21(27)11-14-30(22,29)8/h17,19-25,31-32H,9-16H2,1-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28+,29-,30-/m1/s1 |
| InChIKey | NXPZMHDVGSXPBE-KSSFHQQUSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@@]3([C@]([C@]4([C@@]([C@]5([C@@](C(=C[C@@]([C@@]5(CC4)C)(O)[H])C)(C)[H])[H])(CC3)[H])C)(CC[C@]2(C1(C)C)[H])C)[H])C)[H] |
| SPLASH | splash10-001i-9700300000-d7f639f7a7ae74fde289 |
| Source of Spectrum | G4-63-900-1 |
| Wiley ID | 1608491 |