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Pregnan-3-one, 20-methyl-, (5.beta.)-
SpectraBase Compound ID BpmGiIQHT7s
InChI InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h14-15,17-20H,5-13H2,1-4H3/t15-,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey BITOYSGQNJZELQ-CCIBANHTSA-N
Mol Weight 316.5 g/mol
Molecular Formula C22H36O
Exact Mass 316.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ij6NxopZK0
Name Pregnan-3-one, 20-methyl-, (5.beta.)-
CAS Registry Number 72654-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O
InChI InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h14-15,17-20H,5-13H2,1-4H3/t15-,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey BITOYSGQNJZELQ-CCIBANHTSA-N
Molecular Weight 316.529 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(C(C)C)[H])[H])C
SPLASH splash10-00lr-0096000000-a81a946c7034b4de0d7d
Source of Spectrum F-35-788-0
Synonyms (1S,2S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-(propan-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one 20-Methyl-5.alpha.-pregnan-3-one
Wiley ID 1317394