For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

16.beta.-Hydroxy-5.alpha.-pregna-1,20-dien-3-one 16-acetate

View entire compound with spectra: 1 MS (GC)

16.beta.-Hydroxy-5.alpha.-pregna-1,20-dien-3-one 16-acetate
SpectraBase Compound ID ujq6MM1xcD
InChI InChI=1S/C23H32O3/c1-5-18-21(26-14(2)24)13-20-17-7-6-15-12-16(25)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,8,10,15,17-21H,1,6-7,9,11-13H2,2-4H3/t15-,17+,18-,19-,20-,21-,22-,23+/m0/s1
InChIKey IMUXITHLWKKOHJ-WKHOWWIJSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 725HAEuvIkg
Name 16.beta.-Hydroxy-5.alpha.-pregna-1,20-dien-3-one 16-acetate
Alternate Name(s) (5alpha,16beta)-3-oxopregna-1,20-dien-16-yl acetate Acetic acid[(5S,8S,9S,10R,13S,14S,16S,17R)-17-ethenyl-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]ester Acetic acid[(5S,8S,9S,10R,13S,14S,16S,17R)-3-keto-10,13-dimethyl-17-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]ester [(5S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-3-oxo-17-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]acetate [(5S,8S,9S,10R,13S,14S,16S,17R)-17-ethenyl-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]ethanoate [(5S,8S,9S,10R,13S,14S,16S,17R)-17-ethenyl-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]acetate Acetic acid [(5S,8S,9S,10R,13S,14S,16S,17R)-17-ethenyl-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] ester [(5S,8S,9S,10R,13S,14S,16S,17R)-17-ethenyl-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] acetate [(5S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-3-oxo-17-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] acetate [(5S,8S,9S,10R,13S,14S,16S,17R)-17-ethenyl-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-5-18-21(26-14(2)24)13-20-17-7-6-15-12-16(25)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,8,10,15,17-21H,1,6-7,9,11-13H2,2-4H3/t15-,17+,18-,19-,20-,21-,22-,23+/m0/s1
InChIKey IMUXITHLWKKOHJ-WKHOWWIJSA-N
Molecular Weight 356.506 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C=CC(C4)=O)C)[H])[H])(C[C@@]([C@@]1(C=C)[H])(OC(=O)C)[H])[H])C
SPLASH splash10-006x-9510000000-d18f7fe4cf0727b85450
Source of Spectrum F-51-9981-2
Wiley ID 793379