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(+/-)-20-Methyl-4,5-seco-14beta,17alpha-pregnan-3,5-dione
SpectraBase Compound ID 9sH6OW9wDu4
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-JZQWIXKMSA-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 FIacKI6vD22
Name (+/-)-20-Methyl-4,5-seco-14beta,17alpha-pregnan-3,5-dione
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-JZQWIXKMSA-N
Molecular Weight 332.528 g/mol
SMILES C1([C@]([C@@]2([C@@](CC1)([C@@]1([C@](CC2)([C@@](CC1)(C(C)C)[H])C)[H])[H])[H])(C)CCC(=O)C)=O
SPLASH splash10-03di-0097000000-1780f52d5b55c4b1a277
Source of Spectrum K-113-2726-17a
Synonyms (3S,3aR,5aS,6R,9aS,9bR)-3-isopropyl-3a,6-dimethyl-6-(3-oxobutyl)dodecahydro-7H-cyclopenta[a]naphthalen-7-one
Wiley ID 1792796