| SpectraBase Compound ID | 7gZDByIolM0 |
|---|---|
| InChI | InChI=1S/C26H31N3O3/c1-25-13-12-20-18(9-8-17-14-22(30)21(28-29-27)15-26(17,20)2)19(25)10-11-23(25)32-24(31)16-6-4-3-5-7-16/h3-7,15,17-20,23H,8-14H2,1-2H3/t17-,18-,19-,20-,23-,25-,26-/m0/s1 |
| InChIKey | WJKIXKBIVXFSLS-VDTXGSSASA-N |
| Mol Weight | 433.55 g/mol |
| Molecular Formula | C26H31N3O3 |
| Exact Mass | 433.236542 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5SnnDSZ55eT |
|---|---|
| Name | 2-Azido-17-.beta.-benzoyloxy-5-.alpha.-androst-1-en-3-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H31N3O3 |
| InChI | InChI=1S/C26H31N3O3/c1-25-13-12-20-18(9-8-17-14-22(30)21(28-29-27)15-26(17,20)2)19(25)10-11-23(25)32-24(31)16-6-4-3-5-7-16/h3-7,15,17-20,23H,8-14H2,1-2H3/t17-,18-,19-,20-,23-,25-,26-/m0/s1 |
| InChIKey | WJKIXKBIVXFSLS-VDTXGSSASA-N |
| Molecular Weight | 433.552 g/mol |
| SMILES | [C@]12(C=C(N=[N+]=[N-])C(C[C@@]2(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)c1ccccc1)[H])[H])[H])[H])=O)C |
| SPLASH | splash10-0a59-0040900000-b506df0345c2eca4a7a4 |
| Source of Spectrum | Y-30-1638-18 |
| Synonyms | (5alpha,17beta)-2-azido-3-oxoandrost-1-en-17-yl benzoate benzoic acid[(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ester benzoic acid[(5S,8R,9S,10S,13S,14S,17S)-2-azido-3-keto-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ester [(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]benzoate [(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]benzoate benzoic acid [(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester [(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate [(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate |
| Wiley ID | 761299 |