| SpectraBase Compound ID | E3tJMQajXPE |
|---|---|
| InChI | InChI=1S/C27H39NO2/c1-17(29)25-18(16-28)14-24-22-9-8-19-15-21(30-20-6-4-5-7-20)10-12-26(19,2)23(22)11-13-27(24,25)3/h8,18,20-25H,4-7,9-15H2,1-3H3/t18-,21-,22+,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | QBQAHSSLFCOQBF-JMZNQADOSA-N |
| Mol Weight | 409.6 g/mol |
| Molecular Formula | C27H39NO2 |
| Exact Mass | 409.298079 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0JDOS80AxE |
|---|---|
| Name | (3beta,16alpha)-3-(cyclopentyloxy)-20-oxopregn-5-ene-16-carbonitrile |
| Alternate Name(s) | (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-(cyclopentoxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-cyclopentyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile (3S,8S,9S,10R,13S,14S,16R,17S)-3-cyclopentyloxy-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H39NO2 |
| InChI | InChI=1S/C27H39NO2/c1-17(29)25-18(16-28)14-24-22-9-8-19-15-21(30-20-6-4-5-7-20)10-12-26(19,2)23(22)11-13-27(24,25)3/h8,18,20-25H,4-7,9-15H2,1-3H3/t18-,21-,22+,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | QBQAHSSLFCOQBF-JMZNQADOSA-N |
| Molecular Weight | 409.614 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC2CCCC2)(C4)[H])C)[H])(C[C@]([C@@]1(C(=O)C)[H])(C#N)[H])[H])C |
| SPLASH | splash10-004i-6916000000-f24fa3360846ddf81f54 |
| Source of Spectrum | BS-5-109-0 |
| Wiley ID | 1373400 |