| SpectraBase Compound ID | KSC18i9E9Vt |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3 |
| InChIKey | FKEDTKXWEOKYFM-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C25H42O3 |
| Exact Mass | 390.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BEwPYX5dOzy |
|---|---|
| Name | Cholan-24-oic acid, 12-hydroxy-, methyl ester, (5.beta.,12.alpha.)- |
| CAS Registry Number | 1249-70-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3 |
| InChIKey | FKEDTKXWEOKYFM-UHFFFAOYSA-N |
| Molecular Weight | 390.608 g/mol |
| SMILES | OC1C2(C(C(C)CCC(=O)OC)CCC2C2C(C1)C1(C(CC2)CCCC1)C)C |
| SPLASH | splash10-0a4l-9330000000-a7487b3d232c1421b08b |
| Source of Spectrum | DV-73-575-13 |
| Synonyms | Methyl 12-hydroxycholan-24-oate 4-(12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 5.beta.-Cholan-24-oic acid, 12.alpha.-hydroxy-, methyl ester Methyl 12.alpha.-hydroxy-5.beta.-cholanate Methyl 12.alpha.-hydroxy-5.beta.-cholanoate Methyl 4-(10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1365134 |