| SpectraBase Compound ID | A59Lbrm1dIm |
|---|---|
| InChI | InChI=1S/C24H40O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-20,22,25-26H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,22+,23+,24-/m1/s1 |
| InChIKey | UOHIQYRWOONFEQ-IFYILFKVSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C24H40O3 |
| Exact Mass | 376.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CZY5c62CvVX |
|---|---|
| Name | 3.alpha.,24-Dihydroxy-5.beta.-cholan-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H40O3 |
| InChI | InChI=1S/C24H40O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-20,22,25-26H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,22+,23+,24-/m1/s1 |
| InChIKey | UOHIQYRWOONFEQ-IFYILFKVSA-N |
| Molecular Weight | 376.581 g/mol |
| SMILES | OCCC[C@]([C@]1(CC[C@]2([C@@]3(C(C[C@]4([C@](CC[C@](C4)(O)[H])([C@]3(CC[C@]12C)[H])C)[H])=O)[H])[H])[H])(C)[H] |
| SPLASH | splash10-0006-9013000000-0444e3bdf044273ad053 |
| Source of Spectrum | U1-1998-2406-6 |
| Synonyms | (3alpha,5beta)-3,24-dihydroxycholan-7-one (3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-17-[(2R)-5-oxidanylpentan-2-yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one |
| Wiley ID | 751774 |