| SpectraBase Compound ID | 7qHqjn9Dz5t |
|---|---|
| InChI | InChI=1S/C31H48O8/c1-17(14-27(29(35)36-7)39-20(4)34)23-8-9-24-28-25(11-13-31(23,24)6)30(5)12-10-22(37-18(2)32)15-21(30)16-26(28)38-19(3)33/h17,21-28H,8-16H2,1-7H3 |
| InChIKey | KFBPPYZLDBAKJI-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 | F8b7QGkoz9x |
|---|---|
| Name | Cholan-24-oic acid, 3,7,23-tris(acetyloxy)-, methyl ester, (3.alpha.,7.alpha.)- |
| CAS Registry Number | 56087-14-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O8 |
| InChI | InChI=1S/C31H48O8/c1-17(14-27(29(35)36-7)39-20(4)34)23-8-9-24-28-25(11-13-31(23,24)6)30(5)12-10-22(37-18(2)32)15-21(30)16-26(28)38-19(3)33/h17,21-28H,8-16H2,1-7H3 |
| InChIKey | KFBPPYZLDBAKJI-UHFFFAOYSA-N |
| Molecular Weight | 548.717 g/mol |
| SMILES | C(OC1C2C(C3(C(C1)CC(OC(C)=O)CC3)C)CCC1(C2CCC1C(CC(C(OC)=O)OC(C)=O)C)C)(C)=O |
| SPLASH | splash10-004i-0093700000-b45020881c4d4906bd75 |
| Source of Spectrum | DV-73-576-16 |
| Synonyms | Methyl 3,7,23-tris(acetyloxy)cholan-24-oate 2-Acetoxy-4-(3,7-diacetoxy-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 2-Acetyloxy-4-(3,7-diacetyloxy-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 2-acetoxy-4-(3,7-diacetoxy-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 2-acetyloxy-4-(3,7-diacetyloxy-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 |
| Wiley ID | 1405485 |