| SpectraBase Compound ID | HbOuBZRPvd4 |
|---|---|
| InChI | InChI=1S/C23H31NO5/c1-13(25)21-20(24(27)28)12-19-17-6-5-15-11-16(29-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-19H,6-12H2,1-4H3/t16-,17+,18-,19-,22-,23-/m0/s1 |
| InChIKey | YVLVPQUJWOMKIX-ALOMXMGUSA-N |
| Mol Weight | 401.5 g/mol |
| Molecular Formula | C23H31NO5 |
| Exact Mass | 401.220223 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CgZOZ5w1SYm |
|---|---|
| Name | 3-.beta.-Acetoxy-16-nitro-5-.beta.-pregnane-5,16-dien-20-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31NO5 |
| InChI | InChI=1S/C23H31NO5/c1-13(25)21-20(24(27)28)12-19-17-6-5-15-11-16(29-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-19H,6-12H2,1-4H3/t16-,17+,18-,19-,22-,23-/m0/s1 |
| InChIKey | YVLVPQUJWOMKIX-ALOMXMGUSA-N |
| Molecular Weight | 401.503 g/mol |
| SMILES | C1(=C([C@]2(CC[C@@]3([C@]4(CC[C@](OC(=O)C)(CC4=CC[C@]3([C@@]2(C1)[H])[H])[H])C)[H])C)C(=O)C)N(=O)=O |
| SPLASH | splash10-0udm-0093000000-aa4a3f121175273ebbf9 |
| Source of Spectrum | Y1-38-1222-12 |
| Synonyms | (3beta)-16-nitro-20-oxopregna-5,16-dien-3-yl acetate 3-Acetoxy-16-nitro-5-.beta.-pregnane-5,16-dien-20-one Acetic acid[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-16-nitro-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-16-nitro-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,8R,9S,10R,13S,14S)-17-ethanoyl-10,13-dimethyl-16-nitro-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-16-nitro-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S,14S)-17-ethanoyl-10,13-dimethyl-16-nitro-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1527856 |