| SpectraBase Compound ID | 5oU6zOGm5df |
|---|---|
| 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(29-4)14-17(25)15-22(24)27/h16-22,24,27H,6-15H2,1-5H3 |
| InChIKey | NNSQLMYVCSICIT-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 | 3Dqx7XIN8ft |
|---|---|
| Name | Methyl 7-hydroxy-3-methoxycholan-24-oate |
| Alternate Name(s) | 4-(7-hydroxy-3-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-(7-hydroxy-3-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 4-(3-methoxy-10,13-dimethyl-7-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-(7-hydroxy-3-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 7.alpha.-hydroxy-3.alpha.-methoxy-5.beta.-cholanoate |
| CAS Registry Number | 67979-71-9 |
| Copyright | Copyright © 2020-2024 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(29-4)14-17(25)15-22(24)27/h16-22,24,27H,6-15H2,1-5H3 |
| InChIKey | NNSQLMYVCSICIT-UHFFFAOYSA-N |
| Molecular Weight | 420.634 g/mol |
| SMILES | OC1C2C3C(CCC2C2(C(C1)CC(CC2)OC)C)(C(CC3)C(C)CCC(=O)OC)C |
| SPLASH | splash10-0a4l-8932000000-4a06608d43a80555e8e3 |
| Source of Spectrum | W5-1989-7191-1 |
| Wiley ID | 1378110 |