| SpectraBase Compound ID | J2yf28NrKYB |
|---|---|
| InChI | InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18?,19+,20-,21?,22-,23+/m0/s1 |
| InChIKey | CRRKVZVYZQXICQ-OBJUJMITSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CwEx9Y58OyR |
|---|---|
| Name | Pregnenolone-3.beta.-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O3 |
| InChI | InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18?,19+,20-,21?,22-,23+/m0/s1 |
| InChIKey | CRRKVZVYZQXICQ-OBJUJMITSA-N |
| Molecular Weight | 358.522 g/mol |
| SMILES | [C@@]12([C@](C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH | splash10-052f-9000000000-d65eae628c7ed071cd5a |
| Source of Spectrum | Y1-38-1260-9 |
| Synonyms | (3beta)-20-oxopregn-5-en-3-yl acetate [(3S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1527843 |