| SpectraBase Compound ID | B8zYvXrjgDj |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3 |
| InChIKey | YHTRVWPOAJKWBV-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6FdVtbTZcX3 |
|---|---|
| Name | Cholan-24-oic acid, methyl ester, (5.beta.)- |
| CAS Registry Number | 2204-14-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3 |
| InChIKey | YHTRVWPOAJKWBV-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC1C2CCC2C1(CCCC2)C)C |
| SPLASH | splash10-0axr-9435000000-0f9d9113fa1eb3488355 |
| Source of Spectrum | JZ-1992-2790-0 |
| Synonyms | Methyl cholan-24-oate 4-(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-(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, methyl ester 5.beta.-Cholanic acid methyl ester Cholan-24-oic acid, methyl ester, (5beta)- Methyl 4-(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 5.beta.-cholanate Methyl cholanate Methyl-5.beta.-cholan-24-oate Methyl-5.beta.-cholanoate |
| Wiley ID | 1356976 |