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Pregnan-16-one, (5.alpha.)-
SpectraBase Compound ID 8mKfquY91g7
InChI InChI=1S/C21H34O/c1-4-16-19(22)13-18-15-9-8-14-7-5-6-11-20(14,2)17(15)10-12-21(16,18)3/h14-18H,4-13H2,1-3H3
InChIKey UAFCWOPTMVBLPA-UHFFFAOYSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlfbBFodyY2
Name Pregnan-16-one, (5.alpha.)-
CAS Registry Number 42921-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-4-16-19(22)13-18-15-9-8-14-7-5-6-11-20(14,2)17(15)10-12-21(16,18)3/h14-18H,4-13H2,1-3H3
InChIKey UAFCWOPTMVBLPA-UHFFFAOYSA-N
Molecular Weight 302.502 g/mol
SMILES CC12C(C3C(CC2)C2(C)C(CC3)CCCC2)CC(C1CC)=O
SPLASH splash10-014i-0691000000-23df0757fe00cf86140c
Source of Spectrum C-89-274-3
Synonyms Pregnan-16-one 17-ethyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one 5.alpha.-Pregnan-16-one
Wiley ID 1305249