| SpectraBase Compound ID | 49tAGhElPKs |
|---|---|
| InChI | InChI=1S/C26H44O4/c1-16(6-9-23(28)30-5)19-7-8-20-24-21(11-13-26(19,20)3)25(2)12-10-18(27)14-17(25)15-22(24)29-4/h16-22,24,27H,6-15H2,1-5H3 |
| InChIKey | AEQRPUMCBRKXFZ-UHFFFAOYSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C26H44O4 |
| Exact Mass | 420.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CPnQAdZSgy8 |
|---|---|
| Name | Methyl 3-hydroxy-7-methoxycholan-24-oate |
| CAS Registry Number | 67979-70-8 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O4 |
| InChI | InChI=1S/C26H44O4/c1-16(6-9-23(28)30-5)19-7-8-20-24-21(11-13-26(19,20)3)25(2)12-10-18(27)14-17(25)15-22(24)29-4/h16-22,24,27H,6-15H2,1-5H3 |
| InChIKey | AEQRPUMCBRKXFZ-UHFFFAOYSA-N |
| Molecular Weight | 420.634 g/mol |
| SMILES | OC1CCC2(C(CC(C3C4C(CCC23)(C(CC4)C(C)CCC(=O)OC)C)OC)C1)C |
| SPLASH | splash10-0ab9-8923000000-6cb6744dd3a52bcaa306 |
| Source of Spectrum | W5-1989-7192-1 |
| Synonyms | 4-(3-hydroxy-7-methoxy-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-(3-hydroxy-7-methoxy-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 Methyl 3.alpha.-hydroxy-7.alpha.-methoxy-5.beta.-cholanoate Methyl 4-(3-hydroxy-7-methoxy-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 Methyl 4-(7-methoxy-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1378109 |