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3alpha-Hydroxy-16-isobutyliden-5alpha-androsten-17-one
SpectraBase Compound ID CkHE00N1qw1
InChI InChI=1S/C23H36O2/c1-14(2)11-15-12-20-18-6-5-16-13-17(24)7-9-22(16,3)19(18)8-10-23(20,4)21(15)25/h11,14,16-20,24H,5-10,12-13H2,1-4H3/t16-,17+,18+,19-,20-,22-,23-/m0/s1
InChIKey CACRFVNGLCUDBC-YUDDRCMESA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvtHDoFx8HL
Name 3alpha-Hydroxy-16-isobutyliden-5alpha-androsten-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-14(2)11-15-12-20-18-6-5-16-13-17(24)7-9-22(16,3)19(18)8-10-23(20,4)21(15)25/h11,14,16-20,24H,5-10,12-13H2,1-4H3/t16-,17+,18+,19-,20-,22-,23-/m0/s1
InChIKey CACRFVNGLCUDBC-YUDDRCMESA-N
Literature Reference DOI 10.1002/cber.19681010705
Molecular Weight 344.539 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4(C(C(C[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=CC(C)C)=O)C)[H])C)[H]
SPLASH splash10-0006-0039000000-564eb5ef9a94d306f060
Source of Spectrum K-101-2338-22
Synonyms (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-16-(2-methylpropylidene)hexadecahydro-17H-cyclopenta[a]phenanthren-17-one
Wiley ID 1793350