| SpectraBase Compound ID | 5lBCvGr7iqk |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(24(29)12-13-25(2,3)30)21-8-9-22-20-7-6-18-16-19(28)10-14-26(18,4)23(20)11-15-27(21,22)5/h16-17,20-24,29-30H,6-15H2,1-5H3/t17-,20-,21+,22-,23-,24?,26-,27+/m0/s1 |
| InChIKey | CLLPYJSPFOBNLE-LIVFNVCZSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4NUvm3PdUqo |
|---|---|
| Name | Cholest-5-en-3-one, 22,25-dihydroxy- |
| Alternate Name(s) | Delta(4)-cholestene-22,25 diol-3-one 22,25-Dihydroxycholest-4-en-3-one (8S,9S,10R,13S,14S,17R)-17-((2S)-3,6-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one (8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 17205-76-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(24(29)12-13-25(2,3)30)21-8-9-22-20-7-6-18-16-19(28)10-14-26(18,4)23(20)11-15-27(21,22)5/h16-17,20-24,29-30H,6-15H2,1-5H3/t17-,20-,21+,22-,23-,24?,26-,27+/m0/s1 |
| InChIKey | CLLPYJSPFOBNLE-LIVFNVCZSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC(CCC([C@]([C@@]1([C@@]2([C@]([C@]3([C@]([C@@]4(C(=CC(=O)CC4)CC3)C)([H])CC2)[H])(CC1)[H])C)[H])(C)[H])O)(C)C |
| SPLASH | splash10-0fl4-9103000000-f6ad683e45854a90e472 |
| Source of Spectrum | JX-2015-6-12737 |
| Wiley ID | 1731330 |