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3.BETA.,17.ALPHA.,20.ALPHA.-TRIHYDROXY-PREGN-5-ENE
SpectraBase Compound ID 7n3WU5T3Ggp
InChI InChI=1S/C21H34O3/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/h4,13,15-18,22-24H,5-12H2,1-3H3
InChIKey XGUQCUDPXSTKLI-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnIfpGbm6qk
Name 3.BETA.,17.ALPHA.,20.ALPHA.-TRIHYDROXY-PREGN-5-ENE
Alternate Name(s) PREGN-5-ENE-3,17,20-TRIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/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/h4,13,15-18,22-24H,5-12H2,1-3H3
InChIKey XGUQCUDPXSTKLI-UHFFFAOYSA-N
Nominal Mass 334 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(O)CC2=CCC2C1CCC1(C2CCC1(O)C(O)C)C
SPLASH splash10-007c-5590000000-ef2c4d7e6cb710398bb3
Source File Reference LMCM-65495-353M
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany