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3.ALPHA.,5-CYCLO-5.ALPHA.-PREGNAN-6.BETA.,21-DIOL-20-ONE
SpectraBase Compound ID HEUAeFXdju
InChI InChI=1S/C21H32O3/c1-19-7-6-15-13(14(19)3-4-16(19)17(23)11-22)9-18(24)21-10-12(21)5-8-20(15,21)2/h12-16,18,22,24H,3-11H2,1-2H3
InChIKey SDVLRZNAKXDOHD-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JOe56Ho8SZ
Name 3.ALPHA.,5-CYCLO-5.ALPHA.-PREGNAN-6.BETA.,21-DIOL-20-ONE
Alternate Name(s) 2-HYDROXY-1-(10-HYDROXY-3A,5A-DIMETHYLHEXADECAHYDROCYCLOPENTA[A]CYCLOPROPA[2,3]CYCLOPENTA[1,2-F]NAPHTHALEN-6-YL)ETHANONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-19-7-6-15-13(14(19)3-4-16(19)17(23)11-22)9-18(24)21-10-12(21)5-8-20(15,21)2/h12-16,18,22,24H,3-11H2,1-2H3
InChIKey SDVLRZNAKXDOHD-UHFFFAOYSA-N
Nominal Mass 332 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CC(O)C45C(CCC35C)C4)C2CCC1C(CO)=O
SPLASH splash10-0zfr-9636000000-e5c00b055f1686c6e9bc
Source File Reference LMCM-51531-475P
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany