| SpectraBase Compound ID | 37HX0plHDsA |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h16,18-22,25H,6-15H2,1-5H3 |
| InChIKey | IOBLILNCUSICGD-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 | FDRXYaT7dyU |
|---|---|
| Name | Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3.alpha.,5.beta.)- |
| Alternate Name(s) | Methyl 3-(acetyloxy)-7-oxocholan-24-oate 4-(3-acetoxy-7-keto-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 4-(3-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Methyl 4-(3-acetoxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(3-acetyloxy-10,13-dimethyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(3-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate |
| CAS Registry Number | 10452-65-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h16,18-22,25H,6-15H2,1-5H3 |
| InChIKey | IOBLILNCUSICGD-UHFFFAOYSA-N |
| Molecular Weight | 446.628 g/mol |
| SMILES | C1(=O)C2C(C3(C(C1)CC(OC(C)=O)CC3)C)CCC1(C2CCC1C(CCC(OC)=O)C)C |
| SPLASH | splash10-0a4i-0930000000-989ff50e21cdcdab628e |
| Source of Spectrum | W5-35420-30116-30116 |
| Wiley ID | 1386734 |