| SpectraBase Compound ID | 44dXTyTOe9X |
|---|---|
| InChI | InChI=1S/C27H34O4/c1-26-14-13-22-20(10-9-18-15-19(28)16-24(30-3)27(18,22)2)21(26)11-12-23(26)31-25(29)17-7-5-4-6-8-17/h4-8,16,18,20-23H,9-15H2,1-3H3/t18-,20-,21-,22-,23-,26-,27-/m0/s1 |
| InChIKey | ZLFWRVPKLUHOGU-YOLSHIOGSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C27H34O4 |
| Exact Mass | 422.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 532y6BcN5sV |
|---|---|
| Name | 1-Methoxy-5-.alpha.-androst-1-en-17-.beta.-ol-3-one benzoate |
| Alternate Name(s) | (5alpha,17beta)-1-methoxy-3-oxoandrost-1-en-17-yl benzoate benzoic acid[(5S,8S,9S,10S,13S,14S,17S)-1-methoxy-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,8S,9S,10S,13S,14S,17S)-3-keto-1-methoxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ester [(5S,8S,9S,10S,13S,14S,17S)-1-methoxy-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]benzoate [(5S,8S,9S,10S,13S,14S,17S)-1-methoxy-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,8S,9S,10S,13S,14S,17S)-1-methoxy-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester [(5S,8S,9S,10S,13S,14S,17S)-1-methoxy-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate [(5S,8S,9S,10S,13S,14S,17S)-1-methoxy-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34O4 |
| InChI | InChI=1S/C27H34O4/c1-26-14-13-22-20(10-9-18-15-19(28)16-24(30-3)27(18,22)2)21(26)11-12-23(26)31-25(29)17-7-5-4-6-8-17/h4-8,16,18,20-23H,9-15H2,1-3H3/t18-,20-,21-,22-,23-,26-,27-/m0/s1 |
| InChIKey | ZLFWRVPKLUHOGU-YOLSHIOGSA-N |
| Molecular Weight | 422.565 g/mol |
| SMILES | [C@]12(C(=CC(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)OC)C |
| SPLASH | splash10-0ab9-0900600000-366ec786a9fb22ffea87 |
| Source of Spectrum | Y-30-1637-0 |
| Wiley ID | 761303 |