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Androst-5-en-17-one, 3-(acetyloxy)-19-iodo-, (3.beta.)-

View entire compound with spectra: 1 MS (GC)

Androst-5-en-17-one, 3-(acetyloxy)-19-iodo-, (3.beta.)-
SpectraBase Compound ID Ateu80CWS3U
InChI InChI=1S/C21H29IO3/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey CSKDQVBRIWZGLL-JPRZGNOKSA-N
Mol Weight 456.36 g/mol
Molecular Formula C21H29IO3
Exact Mass 456.11614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L26K98PuPjj
Name Androst-5-en-17-one, 3-(acetyloxy)-19-iodo-, (3.beta.)-
Alternate Name(s) (3beta)-19-iodo-17-oxoandrost-5-en-3-yl acetate 3.beta.-acetoxy-19-iodo-5-androsten-17-one 3.beta.-acetoxy-19-iodoandrost-5-en-17-one Acetic acid[(3S,8S,9S,10S,13S,14S)-10-(iodomethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3S,8S,9S,10S,13S,14S)-10-(iodomethyl)-17-keto-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]ester [(3S,8S,9S,10S,13S,14S)-10-(iodanylmethyl)-13-methyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8S,9S,10S,13S,14S)-10-(iodomethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3S,8S,9S,10S,13S,14S)-10-(iodomethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10S,13S,14S)-10-(iodomethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10S,13S,14S)-10-(iodanylmethyl)-13-methyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
CAS Registry Number 82341-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29IO3
InChI InChI=1S/C21H29IO3/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey CSKDQVBRIWZGLL-JPRZGNOKSA-N
Molecular Weight 456.364 g/mol
SMILES [C@]12(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C[C@@](OC(=O)C)(CC1)[H])CI
SPLASH splash10-014j-0095000000-e8f4677ff8c5be826798
Source of Spectrum KC-1989-1650-7
Wiley ID 1389195