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PREGN-4-ENE-3,20-DIONE, 11,17,21-TRIHYDROXY-, (11beta,17alpha)-
SpectraBase Compound ID I2b7P8k9shS
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3
InChIKey OMFXVFTZEKFJBZ-UHFFFAOYSA-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 7lp3QSFAEsY
Name 11.BETA.,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
Alternate Name(s) 11,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3
InChIKey OMFXVFTZEKFJBZ-UHFFFAOYSA-N
Nominal Mass 346 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(C(CO)=O)CCC2C2CCC=3C(C)(CCC(=O)C3)C2C(O)C1
SPLASH splash10-014i-9747000000-3293db51746c35507d97
Source File Reference LMCM-24098-858C
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany