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5-Androsten-3β-ol-17-one acetate

View entire compound with spectra: 3 NMR, 5 FTIR, 1 Raman, and 3 MS (GC)

5-Androsten-3β-ol-17-one acetate
SpectraBase Compound ID LPuCiBxuA1h
InChI InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
InChIKey NCMZQTLCXHGLOK-ZKHIMWLXSA-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 4WoP2rqlVgL
Name Dehydroisoandrosterone 3-Acetate
Alternate Name(s) Prasterone 3-acetate (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
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Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
InChIKey NCMZQTLCXHGLOK-ZKHIMWLXSA-N
Molecular Weight 330.468 g/mol
SMILES C1C[C@@](CC2=CC[C@]3([C@@]4(CCC(=O)[C@@]4(C)CC[C@@]3([C@@]12C)[H])[H])[H])(OC(C)=O)[H]
SPLASH splash10-00dl-4940000000-38fd9c4136f0bc47f073
Source of Spectrum SWG-33-1761-0
Wiley ID 1809365