| SpectraBase Compound ID | EEoLGgMedPe |
|---|---|
| InChI | InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | VGSSUFQMXBFFTM-METNKUIYSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C29H52O3 |
| Exact Mass | 448.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7oYOKQpCJIU |
|---|---|
| Name | (3beta,5alpha,6beta)-stigmastane-3,5,6-triol |
| Alternate Name(s) | (3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol (3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| CAS Registry Number | 20835-91-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52O3 |
| InChI | InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | VGSSUFQMXBFFTM-METNKUIYSA-N |
| Molecular Weight | 448.732 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@@]([C@]3(CC[C@@](C[C@]13O)(O)[H])C)(CC[C@@]1([C@](CC[C@@]21[H])([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])C)[H])[H])[H] |
| SPLASH | splash10-00di-0090100000-93979edbde5ade969830 |
| Source of Spectrum | X2-54-1574-5 |
| Wiley ID | 1604236 |