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5.alpha.,17.alpha.-Pregnan-12-one
SpectraBase Compound ID JpGdDP5JYwC
InChI InChI=1S/C21H34O/c1-4-14-9-11-17-16-10-8-15-7-5-6-12-20(15,2)18(16)13-19(22)21(14,17)3/h14-18H,4-13H2,1-3H3
InChIKey TYYQBQYMGPUGDF-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 GkSotdDbTYz
Name 5.alpha.,17.alpha.-Pregnan-12-one
CAS Registry Number 17996-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-4-14-9-11-17-16-10-8-15-7-5-6-12-20(15,2)18(16)13-19(22)21(14,17)3/h14-18H,4-13H2,1-3H3
InChIKey TYYQBQYMGPUGDF-UHFFFAOYSA-N
Molecular Weight 302.502 g/mol
SMILES CC12C3C(C4C(C(C3)=O)(C)C(CC)CC4)CCC2CCCC1
SPLASH splash10-001i-9682000000-72c96c1fd5f4663d2c26
Source of Spectrum SD-1981-0-0
Synonyms Pregnan-12-one 17-ethyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-one Pregnan-12-one, (5.alpha.)- Pregnan-12-one, (5.beta.)- 5.alpha.-Pregnan-12-one 5.beta.-Pregnan-12-one
Wiley ID 1305257