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Pregn-14-en-3-one, (5.beta.)-
SpectraBase Compound ID DTcj0gEOsX0
InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h8,14-15,17,19H,4-7,9-13H2,1-3H3
InChIKey VWUBRDSHAPHOIF-UHFFFAOYSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IdOLV01lFv
Name Pregn-14-en-3-one, (5.beta.)-
CAS Registry Number 54411-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h8,14-15,17,19H,4-7,9-13H2,1-3H3
InChIKey VWUBRDSHAPHOIF-UHFFFAOYSA-N
Molecular Weight 300.486 g/mol
SMILES CC12C3C(C=4C(CC3)(C)C(CC)CC4)CCC2CC(CC1)=O
SPLASH splash10-0596-8951000000-5bff4eb456fd70c7ef69
Source of Spectrum SD-1981-0-0
Synonyms Pregn-14-en-3-one 17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 44631