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3.BETA.,16.ALPHA.,20.BETA.-TRIHYDROXY-PREGN-5-ENE
SpectraBase Compound ID BY3G6b4rkLX
InChI InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,12,14-19,22-24H,5-11H2,1-3H3
InChIKey BBYKCTWGEWBSOL-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 ERtvhiXA6M
Name 3.BETA.,16.ALPHA.,20.BETA.-TRIHYDROXY-PREGN-5-ENE
Alternate Name(s) PREGN-5-ENE-3,16,20-TRIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,12,14-19,22-24H,5-11H2,1-3H3
InChIKey BBYKCTWGEWBSOL-UHFFFAOYSA-N
Nominal Mass 334 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(O)CC2=CCC2C1CCC1(C2CC(O)C1C(C)O)C
SPLASH splash10-0a59-6943000000-098efc8fba162f6458f3
Source File Reference LMCM-85549-115N
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany