For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(5alpha)-pregnane-3,17,20-triol
SpectraBase Compound ID I9msv78jswS
InChI InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3
InChIKey SCPADBBISMMJAW-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CBQR0xYXfBQ
Name 3.BETA.,17.ALPHA.,20.BETA.-TRIHYDROXY-5.ALPHA.-PREGNAN
Alternate Name(s) PREGNANE-3,17,20-TRIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3
InChIKey SCPADBBISMMJAW-UHFFFAOYSA-N
Nominal Mass 336 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC4C3(C)CCC(O)C4)C2CCC1(O)C(C)O
SPLASH splash10-05fu-7981000000-0bf103868f67e67fe131
Source File Reference LMCM-64416-592D
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany