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10.beta.-Hydroxy-17.beta.-acetoxyestra-1,4-diene-3-one

View entire compound with spectra: 1 MS (GC)

10.beta.-Hydroxy-17.beta.-acetoxyestra-1,4-diene-3-one
SpectraBase Compound ID Gns5NL6toaX
InChI InChI=1S/C20H26O4/c1-12(21)24-18-6-5-16-15-4-3-13-11-14(22)7-10-20(13,23)17(15)8-9-19(16,18)2/h7,10-11,15-18,23H,3-6,8-9H2,1-2H3/t15-,16-,17-,18-,19-,20+/m0/s1
InChIKey CYFXPLNBAALPBN-RPZLJYRGSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TBTyPB4DBB
Name 10.beta.-Hydroxy-17.beta.-acetoxyestra-1,4-diene-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-12(21)24-18-6-5-16-15-4-3-13-11-14(22)7-10-20(13,23)17(15)8-9-19(16,18)2/h7,10-11,15-18,23H,3-6,8-9H2,1-2H3/t15-,16-,17-,18-,19-,20+/m0/s1
InChIKey CYFXPLNBAALPBN-RPZLJYRGSA-N
Molecular Weight 330.424 g/mol
SMILES O[C@]12C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)C)[H])[H])[H]
SPLASH splash10-007k-0945000000-a32d169f659407ae6cb3
Source of Spectrum F-53-14079-3
Synonyms (17beta)-10-hydroxy-3-oxoestra-1,4-dien-17-yl acetate 10.beta.-Hydroxy-17.beta.-acetoxy-estra-1,4-dien-3-one Acetic acid[(8S,9S,10S,13S,14S,17S)-10-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ester Acetic acid[(8S,9S,10S,13S,14S,17S)-10-hydroxy-3-keto-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ester [(8S,9S,10S,13S,14S,17S)-10-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetate [(8S,9S,10S,13S,14S,17S)-13-methyl-10-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethanoate Acetic acid [(8S,9S,10S,13S,14S,17S)-10-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester [(8S,9S,10S,13S,14S,17S)-10-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate [(8S,9S,10S,13S,14S,17S)-13-methyl-10-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
Wiley ID 804082