| SpectraBase Compound ID | BttMH5nu7FR |
|---|---|
| InChI | InChI=1S/C23H31NO4/c1-14(25)21(27)23(4)11-8-19-18(20(23)9-12-24)6-5-16-13-17(28-15(2)26)7-10-22(16,19)3/h5,17-20H,6-11,13H2,1-4H3/t17-,18+,19-,20-,22-,23-/m0/s1 |
| InChIKey | JIBADZAPQQOYAX-QPJCPEQFSA-N |
| Mol Weight | 385.5 g/mol |
| Molecular Formula | C23H31NO4 |
| Exact Mass | 385.225308 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7ASjeh6sHG8 |
|---|---|
| Name | 3.beta.-Acetoxy16,17-seco-17,20-dioxopregn-5-ene-16-nitrile |
| Alternate Name(s) | Acetic acid [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-7-(1,2-dioxopropyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] ester [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-4a,7-dimethyl-7-(2-oxopropanoyl)-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] acetate [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-4a,7-dimethyl-7-(2-oxidanylidenepropanoyl)-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31NO4 |
| InChI | InChI=1S/C23H31NO4/c1-14(25)21(27)23(4)11-8-19-18(20(23)9-12-24)6-5-16-13-17(28-15(2)26)7-10-22(16,19)3/h5,17-20H,6-11,13H2,1-4H3/t17-,18+,19-,20-,22-,23-/m0/s1 |
| InChIKey | JIBADZAPQQOYAX-QPJCPEQFSA-N |
| Molecular Weight | 385.504 g/mol |
| SMILES | [C@]12(C(=CC[C@@]3([C@@]2(CC[C@@](C(C(=O)C)=O)(C)[C@]3(CC#N)[H])[H])[H])C[C@@](OC(=O)C)(CC1)[H])C |
| SPLASH | splash10-0udi-0090000000-841d211b51965833bb6c |
| Source of Spectrum | F-69-8442-30 |
| Wiley ID | 1595857 |