| SpectraBase Compound ID | 77MYYIrOsc0 |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3 |
| InChIKey | VDZDKQBSTYNFGG-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | yOKZfTs9eR |
|---|---|
| Name | Pregnane-3,20-diol, diacetate, (3.alpha.,5.beta.,20S)- |
| CAS Registry Number | 1174-69-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3 |
| InChIKey | VDZDKQBSTYNFGG-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | CC(C1CCC2C1(CCC1C2CCC2C1(CCC(C2)OC(=O)C)C)C)OC(=O)C |
| SPLASH | splash10-0006-9740000000-8ea435822d1719572803 |
| Source of Spectrum | EP-8073-0-0 |
| Synonyms | 20-(Acetyloxy)pregnan-3-yl acetate (20S)-3.alpha.,20.alpha.-Diacetoxy-5.beta.-pregnane 5.beta.-Pregnane-3.alpha.,20.alpha.-diol, diacetate Allopregnan-3.beta.,20.beta.-diol diacetate Pregnandiol diacetate Pregnane-3,20-diol, diacetate, (3.beta.,5.alpha.,20R)- Pregnane-3.alpha.,20.alpha.-diol diacetate Acetic acid [17-(1-acetyloxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(1-acetyloxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1-acetoxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1-acetyloxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate EINECS 214-637-9 |
| Wiley ID | 1371497 |