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(3alpha,5alpha,20S)-prgnane-3,20-diol
SpectraBase Compound ID 6g0hIXhm3sK
InChI InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3
InChIKey YWYQTGBBEZQBGO-UHFFFAOYSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JppFQlV2a1t
Name 3.BETA.,20.BETA.-DIHYDROXY-5.ALPHA.-PREGNAN
Alternate Name(s) PREGNANE-3,20-DIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3
InChIKey YWYQTGBBEZQBGO-UHFFFAOYSA-N
Nominal Mass 320 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC4C3(C)CCC(O)C4)C2CCC1C(C)O
SPLASH splash10-053r-9651000000-7d91b51817792193a7f6
Source File Reference LMCM-21695-376S
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany