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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 DFpWoGQpKcr
Name PREGN-4-ENE-3,20-DIONE, 11,21-DIHYDROXY-, (11beta)-
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
Instrument Name CH5
Molecular Weight 346.2136
SMILES OCC(C1C2(CC(O)C3C4(CCC(C=C4CCC3C2CC1)=O)C)C)=O
SPLASH splash10-014i-8953000000-207b13eebe28bb25ea10
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany