| SpectraBase Compound ID | 3WdKuKRzfyc |
|---|---|
| InChI | InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3 |
| InChIKey | CIZOGAIBGCZRCL-UHFFFAOYSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C25H40O5 |
| Exact Mass | 420.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CFIK2NDABXX |
|---|---|
| Name | 5.alpha.-Cholan-24-oic acid, 7.alpha.,12.alpha.-dihydroxy-3-oxo-, methyl ester |
| CAS Registry Number | 14772-92-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O5 |
| InChI | InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3 |
| InChIKey | CIZOGAIBGCZRCL-UHFFFAOYSA-N |
| Molecular Weight | 420.590 g/mol |
| SMILES | OC1CC2C(C3C1C1CCC(C1(C(C3)O)C)C(C)CCC(=O)OC)(CCC(C2)=O)C |
| SPLASH | splash10-0159-0293000000-1fbc17429bcaff6f1598 |
| Source of Spectrum | T-67-4618-0 |
| Synonyms | Methyl 7,12-dihydroxy-3-oxocholan-24-oate 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(7,12-dihydroxy-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Methyl 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-[10,13-dimethyl-7,12-bis(oxidanyl)-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 58804 |