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4-Pregnen-11β,17-diol-3, 20-dione
SpectraBase Compound ID 3mk6SJyRA2u
InChI InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey LCZBQMKVFQNSJR-UJPCIWJBSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9J1xSlixksB
Name 11.BETA.,17.ALPHA.-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey LCZBQMKVFQNSJR-UJPCIWJBSA-N
Molecular Weight 346.467 g/mol
Nominal Mass 346 u
Number of Peaks 111
SMILES O[C@]1([C@]2(C[C@@]([C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])(O)[H])C)C(C)=O
SPLASH splash10-0006-7964000000-9d41231e62d4c0d78170
Source File Reference LMCM-37889-140B
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 11,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE (8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_229