| SpectraBase Compound ID | 1Cy8qhu3V5w |
|---|---|
| InChI | InChI=1S/C27H42O6/c1-15(25(30)31-6)21-9-10-22-20-8-7-18-13-19(32-16(2)28)11-12-26(18,4)23(20)14-24(27(21,22)5)33-17(3)29/h15,18-24H,7-14H2,1-6H3 |
| InChIKey | NGLATYRFOKIITK-UHFFFAOYSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C27H42O6 |
| Exact Mass | 462.298139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1X6HqjAnYZt |
|---|---|
| Name | Pregnane-20-carboxylic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.,20S)- |
| CAS Registry Number | 60354-44-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O6 |
| InChI | InChI=1S/C27H42O6/c1-15(25(30)31-6)21-9-10-22-20-8-7-18-13-19(32-16(2)28)11-12-26(18,4)23(20)14-24(27(21,22)5)33-17(3)29/h15,18-24H,7-14H2,1-6H3 |
| InChIKey | NGLATYRFOKIITK-UHFFFAOYSA-N |
| Molecular Weight | 462.627 g/mol |
| SMILES | CC(C1CCC2C1(C(CC1C2CCC2C1(CCC(C2)OC(=O)C)C)OC(=O)C)C)C(=O)OC |
| SPLASH | splash10-0pba-0930000000-cd912ab9b5102124c29e |
| Source of Spectrum | W5-35892-29644-29644 |
| Synonyms | 2-(3,12-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)propionic acid methyl ester 2-(3,12-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)propanoic acid methyl ester Methyl 2-(3,12-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)propanoate Methyl 2-(3,12-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)propanoate |
| Wiley ID | 1391110 |