| SpectraBase Compound ID | 9yQCkjTGnP2 |
|---|---|
| InChI | InChI=1S/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3 |
| InChIKey | VTBGQCBIQJMJJZ-UHFFFAOYSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C31H48O8 |
| Exact Mass | 548.334918 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GqISP4tTOSl |
|---|---|
| Name | Methyl 3,7,12-tris(acetyloxy)cholan-24-oate |
| CAS Registry Number | 60384-35-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O8 |
| InChI | InChI=1S/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3 |
| InChIKey | VTBGQCBIQJMJJZ-UHFFFAOYSA-N |
| Molecular Weight | 548.717 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC1C2C(CC2C1(CCC(C2)OC(=O)C)C)OC(=O)C)OC(=O)C)C |
| SPLASH | splash10-114i-0942000000-3ca0727ceed7e32b9b47 |
| Source of Spectrum | W5-37359-28177-28177 |
| Synonyms | Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3.alpha.,5.alpha.,7.alpha.,12.alpha.)- Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.beta.,12.alpha.)- 4-(3,7,12-triacetoxy-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 4-(3,7,12-triacetyloxy-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-(3,7,12-triacetoxy-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-(3,7,12-triacetyloxy-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 triacetylcholate |
| Wiley ID | 1405491 |