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PREGNANE-3,11,20-TRIONE, (5beta)-
SpectraBase Compound ID EcDw6KJIumM
InChI InChI=1S/C19H28O2.C2H4O/c1-18-8-3-4-15(18)14-6-5-12-10-13(20)7-9-19(12,2)17(14)16(21)11-18;1-2-3/h12,14-15,17H,3-11H2,1-2H3;2H,1H3
InChIKey XABMSGQMRWTDKE-UHFFFAOYSA-N
Mol Weight 332.48 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0tI4q4DLMa
Name PREGNANE-3,11,20-TRIONE, (5beta)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C19H28O2.C2H4O/c1-18-8-3-4-15(18)14-6-5-12-10-13(20)7-9-19(12,2)17(14)16(21)11-18;1-2-3/h12,14-15,17H,3-11H2,1-2H3;2H,1H3
InChIKey XABMSGQMRWTDKE-UHFFFAOYSA-N
Molecular Weight 332.2343
SMILES C(C)=O.C1CC2(C(CCC3C4CCCC4(C)CC(=O)C23)CC1=O)C
SPLASH splash10-00ea-4941000000-78716a59c91f45b8d18b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany