| SpectraBase Compound ID | EWnjEBZIY1a |
|---|---|
| InChI | InChI=1S/C28H48O3/c1-16(2)18(4)25(30)13-17(3)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28-/m1/s1 |
| InChIKey | DFAQFDDXHQFLPN-WTBKBRNUSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48O3 |
| Exact Mass | 432.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7NzwAWio7hX |
|---|---|
| Name | (23S,24S)-3,23-Dihydroxy-24-methyl-5.alpha.-cholestan-6-one |
| Alternate Name(s) | (5alpha,23S,24S)-3,23-dihydroxyergostan-6-one (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(2R,4S,5R)-4-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2R,4S,5R)-5,6-dimethyl-4-oxidanyl-heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O3 |
| InChI | InChI=1S/C28H48O3/c1-16(2)18(4)25(30)13-17(3)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28-/m1/s1 |
| InChIKey | DFAQFDDXHQFLPN-WTBKBRNUSA-N |
| Molecular Weight | 432.689 g/mol |
| SMILES | O[C@@](C[C@]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@](CC4)(O)[H])(C(C3)=O)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])(C)[H])([C@@](C(C)C)(C)[H])[H] |
| SPLASH | splash10-03di-0009400000-1875dec9104c8634f021 |
| Source of Spectrum | F-53-17053-22 |
| Wiley ID | 804713 |