| SpectraBase Compound ID | 1YModVUSWwC |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17,19-22,25H,6-14H2,1-5H3 |
| InChIKey | OMMPWAYKPXWRDV-UHFFFAOYSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6fXBq7XnfWd |
|---|---|
| Name | Cholan-24-oic acid, 7-(acetyloxy)-3,12-dioxo-, methyl ester, (5.beta.,7.alpha.)- |
| CAS Registry Number | 60354-42-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17,19-22,25H,6-14H2,1-5H3 |
| InChIKey | OMMPWAYKPXWRDV-UHFFFAOYSA-N |
| Molecular Weight | 460.611 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(=O)CC1C2C(CC2C1(CCC(=O)C2)C)OC(=O)C)C |
| SPLASH | splash10-0kmj-0931000000-9858b290f8802c7b62c8 |
| Source of Spectrum | W5-35836-29700-29700 |
| Synonyms | Methyl 7-(acetyloxy)-3,12-dioxocholan-24-oate 4-(7-acetoxy-3,12-diketo-10,13-dimethyl-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 4-(7-acetyloxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Methyl (5beta,7alpha)-7-acetoxy-3,12-dioxocholan-24-oate Methyl 4-(7-acetoxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(7-acetyloxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-[7-acetyloxy-10,13-dimethyl-3,12-bis(oxidanylidene)-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate EINECS 262-196-6 |
| Wiley ID | 1390549 |