| SpectraBase Compound ID | DxfQhbENbiC |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-6-17-8-10-21-20-9-7-18-13-19(28-15(2)26)14-23(29-16(3)27)25(18,5)22(20)11-12-24(17,21)4/h6-7,19-23H,8-14H2,1-5H3/b17-6-/t19-,20+,21+,22+,23+,24-,25+/m1/s1 |
| InChIKey | CYPZSCCQULFGQW-QPESFRLBSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C25H36O4 |
| Exact Mass | 400.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EE1KNlUnlxk |
|---|---|
| Name | (17Z)-5,17-pregnadiene-1.alpha.,3.beta.-diol Diacetate |
| Alternate Name(s) | (1alpha,3beta,17Z)-1-(acetyloxy)pregna-5,17-dien-3-yl acetate Acetic acid [(1S,3R,8S,9S,10R,13S,14S,17Z)-1-acetyloxy-17-ethylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [(1S,3R,8S,9S,10R,13S,14S,17Z)-1-acetyloxy-17-ethylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(1S,3R,8S,9S,10R,13S,14S,17Z)-1-acetoxy-17-ethylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(1S,3R,8S,9S,10R,13S,14S,17Z)-1-acetyloxy-17-ethylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-6-17-8-10-21-20-9-7-18-13-19(28-15(2)26)14-23(29-16(3)27)25(18,5)22(20)11-12-24(17,21)4/h6-7,19-23H,8-14H2,1-5H3/b17-6-/t19-,20+,21+,22+,23+,24-,25+/m1/s1 |
| InChIKey | CYPZSCCQULFGQW-QPESFRLBSA-N |
| Molecular Weight | 400.559 g/mol |
| SMILES | [C@]12(C(=CC[C@]3([C@@]4(CC\C([C@]4(CC[C@]23[H])C)=C\C)[H])[H])C[C@](C[C@@]1(OC(=O)C)[H])(OC(=O)C)[H])C |
| SPLASH | splash10-000t-0090000000-e0222029e2babb3df6b0 |
| Source of Spectrum | J-57-37-5 |
| Wiley ID | 1369600 |