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5.alpha.-Hydroxy-6.beta.-methylpregnan-3-one
SpectraBase Compound ID BZkPUlMK5XD
InChI InChI=1S/C22H36O2/c1-5-15-6-7-18-17-12-14(2)22(24)13-16(23)8-11-21(22,4)19(17)9-10-20(15,18)3/h14-15,17-19,24H,5-13H2,1-4H3/t14-,15+,17+,18+,19+,20-,21-,22+/m1/s1
InChIKey OAHWSJNTWAHROR-BUGUWVALSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFCkfUIcdyq
Name 5.alpha.-Hydroxy-6.beta.-methylpregnan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-5-15-6-7-18-17-12-14(2)22(24)13-16(23)8-11-21(22,4)19(17)9-10-20(15,18)3/h14-15,17-19,24H,5-13H2,1-4H3/t14-,15+,17+,18+,19+,20-,21-,22+/m1/s1
InChIKey OAHWSJNTWAHROR-BUGUWVALSA-N
Molecular Weight 332.528 g/mol
SMILES O[C@@]12[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)(CC)[H])[H])(C[C@]2(C)[H])[H])[H])(CCC(=O)C1)C
SPLASH splash10-03dl-9281000000-313241487d3e5188e169
Source of Spectrum PS-50-1737-9
Synonyms (5alpha,6beta)-5-hydroxy-6-methylpregnan-3-one (5S,6R,8S,9S,10R,13R,14S,17S)-17-ethyl-6,10,13-trimethyl-5-oxidanyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID 1329946