| SpectraBase Compound ID | Fxbvk9cDcuz |
|---|---|
| InChI | InChI=1S/C21H31IO3/c1-12(23)25-14-8-9-20(2)13(10-14)4-5-15-16-6-7-18(22)21(16,3)11-17(24)19(15)20/h13-16,18-19H,4-11H2,1-3H3 |
| InChIKey | AJXVIYZCFVCWPY-UHFFFAOYSA-N |
| Mol Weight | 458.38 g/mol |
| Molecular Formula | C21H31IO3 |
| Exact Mass | 458.13179 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H38ooRFn0ud |
|---|---|
| Name | Androstan-11-one, 3-(acetyloxy)-17-iodo-, (17.beta.)- |
| CAS Registry Number | 56784-26-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31IO3 |
| InChI | InChI=1S/C21H31IO3/c1-12(23)25-14-8-9-20(2)13(10-14)4-5-15-16-6-7-18(22)21(16,3)11-17(24)19(15)20/h13-16,18-19H,4-11H2,1-3H3 |
| InChIKey | AJXVIYZCFVCWPY-UHFFFAOYSA-N |
| Molecular Weight | 458.380 g/mol |
| SMILES | CC12C3C(C4C(CC3=O)(C)C(I)CC4)CCC2CC(CC1)OC(C)=O |
| SPLASH | splash10-0592-7945000000-a92e4f79f45dd088d3f8 |
| Source of Spectrum | EP-6872-0-0 |
| Synonyms | 17-Iodo-11-oxoandrostan-3-yl acetate Androstan-11-one, 3-(acetyloxy)-17-iodo-, (17.alpha.)- (17-iodanyl-10,13-dimethyl-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ethanoate (17-iodo-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate Acetic acid (17-iodo-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ester Acetic acid (17-iodo-11-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ester |
| Wiley ID | 1389784 |