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Pregn-4-en-3-one, 20-methyl-, (17.alpha.)-
SpectraBase Compound ID 4afxu7Z5ixG
InChI InChI=1S/C22H34O/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/h13-14,17-20H,5-12H2,1-4H3/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKey ATVHBCDLGLNZIR-KKFDQILXSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvRjrs9YxBv
Name Pregn-4-en-3-one, 20-methyl-, (17.alpha.)-
Alternate Name(s) (1S,2R,10S,11S,14S,15R)-2,15-dimethyl-14-(propan-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one 20-Methyl-17.alpha.-pregn-4-en-3-one
CAS Registry Number 72692-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O
InChI InChI=1S/C22H34O/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/h13-14,17-20H,5-12H2,1-4H3/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKey ATVHBCDLGLNZIR-KKFDQILXSA-N
Molecular Weight 314.513 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@]1(C(C)C)[H])[H])C
SPLASH splash10-03k9-0349000000-f643139a66c5b96704f1
Source of Spectrum F-35-787-0
Wiley ID 1315692