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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 FVu6X1I8tJo
Name Pregn-4-en-3-one, 20-methyl-
Alternate Name(s) (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13R,14S,17R)-17-isopropyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 20-Methylpregn-4-en-3-one 20-Methylpregn-4-ene-3-one 23,24-dinor-4-cholen-3-one Guneribone
CAS Registry Number 38388-19-1
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
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 splash10-0229-0925000000-786ad1b27f530d4408bf
Source of Spectrum F-34-711-0
Wiley ID 1315688