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Pregn-4-en-3-one, 20-methyl-
SpectraBase Compound ID HHuoabn4hfP
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-GFJXEVPCSA-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 C6DgCQd4vaC
Name (+)-20-Methylpregn-4-en-3-one
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-GFJXEVPCSA-N
Literature Reference DOI 10.1002/cber.19801130815
Molecular Weight 314.513 g/mol
SMILES C=12[C@]([C@@]3([C@@](CC2)([C@]2([C@](CC3)([C@](CC2)(C(C)C)[H])C)[H])[H])[H])(C)CCC(C1)=O
SPLASH splash10-03k9-0549000000-3e141a478c7483243720
Source of Spectrum K-113-2727-18b
Synonyms (8S,9S,10R,13R,14S,17R)-17-isopropyl-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 1792799