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6-BETA,14-ALPHA-DIHYDROXYPREGN-4-ENE-3,20-DIONE
SpectraBase Compound ID H2tirsJAIsL
InChI InChI=1S/C21H30O4/c1-12(22)14-6-9-21(25)16-11-18(24)17-10-13(23)4-7-19(17,2)15(16)5-8-20(14,21)3/h10,14-16,18,24-25H,4-9,11H2,1-3H3
InChIKey LQCNIUSTCXGYKI-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 2Z4CiShQDul
Name 6.BETA.,14.ALPHA.-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
Alternate Name(s) 6,14-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/c1-12(22)14-6-9-21(25)16-11-18(24)17-10-13(23)4-7-19(17,2)15(16)5-8-20(14,21)3/h10,14-16,18,24-25H,4-9,11H2,1-3H3
InChIKey LQCNIUSTCXGYKI-UHFFFAOYSA-N
Nominal Mass 346 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(=O)C=C2C(CC2C3(O)C(C)(C(CC3)C(C)=O)CCC12)O
SPLASH splash10-002f-9824000000-41d5a48f5c6ab7fe042c
Source File Reference LMCM-87560-199W
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany