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[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

View entire compound with spectra: 2 MS (GC)

[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SpectraBase Compound ID AFot3GZLVMh
InChI InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
InChIKey DJPZSBANTAQNFN-OLGWUGKESA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iuevGEims6
Name ANDROST-4-ENE-17.ALPHA.-OL-3-ONE(17.ALPHA.-ACETATE)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 330.219494823 u
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
InChIKey DJPZSBANTAQNFN-OLGWUGKESA-N
Molecular Weight 330.468 g/mol
Nominal Mass 330 u
Number of Peaks 147
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(OC(C)=O)[H])C)[H])C)=O
SPLASH splash10-00bd-4961000000-886e89029f071d7ab5fb
Source File Reference LMCM-62459-740S
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3-OXOANDROST-4-EN-17-YL ACETATE (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Wiley ID 4_1013