| SpectraBase Compound ID | LgZU7tnk3ze |
|---|---|
| InChI | InChI=1S/C30H50O/c1-7-22(8-2)20(3)9-10-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,21-22,24-28,31H,3,7-10,12-19H2,1-2,4-6H3/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | KQJDEZHTINCILX-OJMNJZCNSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Fn0zXpbXJ9 |
|---|---|
| Name | Xestosterol |
| CAS Registry Number | 71031-58-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-7-22(8-2)20(3)9-10-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,21-22,24-28,31H,3,7-10,12-19H2,1-2,4-6H3/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | KQJDEZHTINCILX-OJMNJZCNSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(=C)C(CC)CC)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-03di-0079300000-222675aa741f61d8687f |
| Source of Spectrum | J-44-3387-0 |
| Synonyms | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-ethyl-5-methyleneoctan-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)-6-ethyl-5-methylideneoctan-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-[(1R)-5-ethyl-1-methyl-4-methylene-heptyl]-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)-6-ethyl-5-methylidene-octan-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 | 1380233 |