| SpectraBase Compound ID | DHh0Or7eJfd |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3 |
| InChIKey | BWDRDVHYVJQWBO-UHFFFAOYSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2FAmEY5opL1 |
|---|---|
| Name | 3,6-Dihydroxycholanoic acid, methyl ester |
| CAS Registry Number | 2868-48-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3 |
| InChIKey | BWDRDVHYVJQWBO-UHFFFAOYSA-N |
| Molecular Weight | 406.607 g/mol |
| SMILES | OC1C2C(CCC(C2)O)(C2C(C1)C1C(CC2)(C(CC1)C(CCC(OC)=O)C)C)C |
| SPLASH | splash10-0a4m-9631000000-6647fced3d9fb7128e2b |
| Source of Spectrum | NP-18-9826-0 |
| Synonyms | Cholanoic acid, 3,6-dihydroxy-, methyl ester Methyl 3,6-dihydroxycholan-24-oate Methyl hydesoxycholate Methyl hydrodesoxycholate Methyl hyodesoxycholate 4-(3,6-dihydroxy-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 Methyl 4-(3,6-dihydroxy-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-[10,13-dimethyl-3,6-bis(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 | 1111867 |