| SpectraBase Compound ID | 8yp8WR3XTI2 |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,19-21,23-27,30-31H,6-7,9-18H2,1-5H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YDSFEUUIRGMNGH-FBZNIEFRSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CcTpP4WdyE4 |
|---|---|
| Name | (24S)-Stigmast-5-ene-3.beta.,29-diol |
| CAS Registry Number | 70832-44-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,19-21,23-27,30-31H,6-7,9-18H2,1-5H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YDSFEUUIRGMNGH-FBZNIEFRSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](CC[C@@](CCO)(C(C)C)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-01q9-0012900000-cf1984e7d2f263ae5f42 |
| Source of Spectrum | J-44-3382-0 |
| Synonyms | (3beta)-stigmast-5-ene-3,29-diol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-(2-hydroxyethyl)-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1381818 |