| SpectraBase Compound ID | 6J2R3gHW34z |
|---|---|
| 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 |
| InChIKey | VGSSUFQMXBFFTM-UHFFFAOYSA-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 | 4GDdUl3s29V |
|---|---|
| Name | Stigmastane-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 |
| InChIKey | VGSSUFQMXBFFTM-UHFFFAOYSA-N |
| Molecular Weight | 448.732 g/mol |
| SMILES | OC1CC2(C(C3CCC4(C(CCC4C3CC2O)C(CCC(CC)C(C)C)C)C)(CC1)C)O |
| SPLASH | splash10-01q9-0073900000-1e47141bdc8b0dcfc102 |
| Source of Spectrum | W5-1989-32622-1 |
| Synonyms | 17-(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 17-(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 5.alpha.-Stigmastane-3.beta.,5,6.beta.-triol Stigmastane-3,5,6-triol, (3beta,5alpha,6beta)- |
| Wiley ID | 1387348 |