| SpectraBase Compound ID | 7KCDs8PZwgU |
|---|---|
| InChI | InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LGJMUZUPVCAVPU-WVYCYQFRSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C29H52O |
| Exact Mass | 416.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KW0ExEQZ9ik |
|---|---|
| Name | (3beta)-stigmastan-3-ol |
| Alternate Name(s) | Stigmastan-3-ol (3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52O |
| InChI | InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LGJMUZUPVCAVPU-WVYCYQFRSA-N |
| Molecular Weight | 416.734 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCC(C(C)C)CC)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-05o1-9540300000-e0afbf9deda251b9df61 |
| Source of Spectrum | F-30-4101-9 |
| Wiley ID | 1376697 |