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Cortexolone
SpectraBase Compound ID 9XEqjkz6SQo
InChI InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
InChIKey WHBHBVVOGNECLV-OBQKJFGGSA-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 D1xvgzIspZq
Name 17.ALPHA.,21-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/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
InChIKey WHBHBVVOGNECLV-OBQKJFGGSA-N
Molecular Weight 346.467 g/mol
Nominal Mass 346 u
Number of Peaks 124
SMILES OCC([C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])O)=O
SPLASH splash10-000l-8692000000-cc1745243749f144d7cf
Source File Reference LMCM-32569-013B
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-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_237