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20-Methyl-4,5-seco-pregnan-3,5-dione
SpectraBase Compound ID 5wgkAVfYqwv
InChI InChI=1S/C22H36O2/c1-14(2)17-7-8-18-16-6-9-20(24)22(5,12-10-15(3)23)19(16)11-13-21(17,18)4/h14,16-19H,6-13H2,1-5H3/t16-,17+,18-,19-,21+,22+/m0/s1
InChIKey KJDGVHVDFDHDGS-NTNOATJHSA-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 IJlLNm0kfy1
Name 20-Methyl-4,5-seco-pregnan-3,5-dione
CAS Registry Number 62015-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-14(2)17-7-8-18-16-6-9-20(24)22(5,12-10-15(3)23)19(16)11-13-21(17,18)4/h14,16-19H,6-13H2,1-5H3/t16-,17+,18-,19-,21+,22+/m0/s1
InChIKey KJDGVHVDFDHDGS-NTNOATJHSA-N
Molecular Weight 332.528 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CCC(=O)C)C)=O)[H])(CC[C@@]1(C(C)C)[H])[H])C
SPLASH splash10-03di-0109000000-125a05cfcbcbd97960d7
Source of Spectrum F-34-711-0
Synonyms 7H-Benz[e]inden-7-one, dodecahydro-3a,6-dimethyl-3-(1-methylethyl)-6-(3-oxobutyl)-, [3R-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]- (3R,3aR,5aS,6R,9aS,9bS)-3-isopropyl-3a,6-dimethyl-6-(3-oxobutyl)dodecahydro-7H-cyclopenta[a]naphthalen-7-one 20-Methyl-4,5-secopregnane-3,5-dione 3.beta.,20-dimethyl-8,14,-seco-a-nor-pregnan-8,14-dione
Wiley ID 1329928