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17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate

View entire compound with spectra: 1 MS (GC)

17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate
SpectraBase Compound ID LmUN8sua5tS
InChI InChI=1S/C21H30O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,18-19,24H,4-10H2,1-3H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey JKQGMMHEASABIB-BULBTXNYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gugn3BcSHvj
Name 17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,18-19,24H,4-10H2,1-3H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey JKQGMMHEASABIB-BULBTXNYSA-N
Molecular Weight 346.467 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@@]4(C(=CC([C@]3([C@@]2(CC1)[H])[H])=O)C[C@@](OC(=O)C)(CC4)[H])C)[H])C)[H]
SPLASH splash10-000i-0590000000-25601ca72c66ce2c9198
Source of Spectrum G-61-408-3
Synonyms (3beta,17beta)-17-hydroxy-7-oxoandrost-5-en-3-yl acetate 3.beta.-Acetoxy-17.beta.-hydroxy-7-oxoandrost-5-ene Acetic acid[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-7-keto-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]ester [(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 749016