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20-Methyl-5.alpha.,17.alpha.-pregnane
SpectraBase Compound ID HmJqIpOQm1r
InChI InChI=1S/C22H38/c1-15(2)18-10-11-19-17-9-8-16-7-5-6-13-21(16,3)20(17)12-14-22(18,19)4/h15-20H,5-14H2,1-4H3/t16-,17+,18+,19+,20+,21+,22-/m1/s1
InChIKey NWNSDNWCYSYUMD-LFCPWCDWSA-N
Mol Weight 302.5 g/mol
Molecular Formula C22H38
Exact Mass 302.297351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiILMYlzIau
Name 20-Methyl-5.alpha.,17.alpha.-pregnane
CAS Registry Number 6005-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38
InChI InChI=1S/C22H38/c1-15(2)18-10-11-19-17-9-8-16-7-5-6-13-21(16,3)20(17)12-14-22(18,19)4/h15-20H,5-14H2,1-4H3/t16-,17+,18+,19+,20+,21+,22-/m1/s1
InChIKey NWNSDNWCYSYUMD-LFCPWCDWSA-N
Molecular Weight 302.546 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@]1(C(C)C)[H])[H])C
SPLASH splash10-0gb9-0095000000-95510983ccd9927c054a
Source of Spectrum F-35-788-0
Synonyms Pregnane, 20-methyl- (1S,2S,7R,10R,11S,14S,15R)-2,15-dimethyl-14-(propan-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane 20-Methyl-5.alpha.-pregnane 23,24-Dinorcholane Androstane, 17-(1-methylethyl)-, (17.beta.)- Androstane, 17.beta.-isopropyl-
Wiley ID 1305314