| SpectraBase Compound ID | 1QCA3KOHj2i |
|---|---|
| InChI | InChI=1S/C21H31IO2/c1-13(23)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22)21(17,3)11-9-18(16)20/h4,15-19H,5-12H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1 |
| InChIKey | ZXRKNRSDRSROJX-YUDLKVPISA-N |
| Mol Weight | 442.38 g/mol |
| Molecular Formula | C21H31IO2 |
| Exact Mass | 442.136875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JeKOYWZcrsz |
|---|---|
| Name | androst-5-en-3-ol, 17-iodo-, acetate, (3.beta.,17.alpha.)- |
| CAS Registry Number | 6570-64-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31IO2 |
| InChI | InChI=1S/C21H31IO2/c1-13(23)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22)21(17,3)11-9-18(16)20/h4,15-19H,5-12H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1 |
| InChIKey | ZXRKNRSDRSROJX-YUDLKVPISA-N |
| Molecular Weight | 442.381 g/mol |
| SMILES | [C@]12(C(=CC[C@]3([C@@]4(CC[C@]([C@]4(CC[C@]23[H])C)(I)[H])[H])[H])C[C@@](OC(=O)C)(CC1)[H])C |
| SPLASH | splash10-0zfr-0091000000-33c8a954f885ab1f1bfc |
| Source of Spectrum | J-51-404-6 |
| Synonyms | (3beta,17alpha)-17-iodoandrost-5-en-3-yl acetate Acetic acid[(3S,8R,9S,10R,13S,14S,17R)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,8R,9S,10R,13S,14S,17R)-17-iodanyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8R,9S,10R,13S,14S,17R)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,8R,9S,10R,13S,14S,17R)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S,14S,17R)-17-iodanyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1385235 |