| SpectraBase Compound ID | AKiAEQDf1DW |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,15-19,23H,4-11H2,1-3H3/t15?,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | UPBHDNBADOAHCA-HXZOEFROSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EJ7B7dxwXQw |
|---|---|
| Name | 17.beta.-Acetoxy-4-androsten-3-ol |
| Alternate Name(s) | (17beta)-3-hydroxyandrost-4-en-17-yl acetate acetic acid[(8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ester [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoate [(8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate [(8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,15-19,23H,4-11H2,1-3H3/t15?,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | UPBHDNBADOAHCA-HXZOEFROSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | OC1CC[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(=O)C)[H])[H])[H])C |
| SPLASH | splash10-03di-0019000000-2ea11187ff301e4cfc74 |
| Source of Spectrum | K1-2004-4786-1 |
| Wiley ID | 1562019 |