| SpectraBase Compound ID | F2W9b3HxVxP |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(29)12-13-26(18,3)23(20)15-24(27(21,22)4)32-17(2)28/h16,18,20-24H,6-15H2,1-5H3 |
| InChIKey | KNHGHMDIHVHLKX-UHFFFAOYSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5D0Z4H9PWzW |
|---|---|
| Name | Cholan-24-oic acid, 12-(acetyloxy)-3-oxo-, methyl ester, (5.alpha.,12.alpha.)- |
| CAS Registry Number | 60354-43-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(29)12-13-26(18,3)23(20)15-24(27(21,22)4)32-17(2)28/h16,18,20-24H,6-15H2,1-5H3 |
| InChIKey | KNHGHMDIHVHLKX-UHFFFAOYSA-N |
| Molecular Weight | 446.628 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC1C2CCC2C1(CCC(=O)C2)C)OC(=O)C)C |
| SPLASH | splash10-00di-0940000000-3a3e60c64c5548fea88a |
| Source of Spectrum | W5-35422-30114-30114 |
| Synonyms | Methyl 12-(acetyloxy)-3-oxocholan-24-oate 4-(12-acetoxy-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 4-(12-acetyloxy-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 Methyl 3-keto-12-acetoxycholanate Methyl 4-(12-acetoxy-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-(12-acetyloxy-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-(12-acetyloxy-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1386736 |