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3.ALPHA.,17.ALPHA.,20.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNAN-11-ONE
SpectraBase Compound ID 5VJIB56FDMF
InChI InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3
InChIKey JXCOSKURGJMQSG-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46lW0XW6ekn
Name 3.ALPHA.,17.ALPHA.,20.BETA.,21-TETRAHYDROXY-5.BETA.-PREGNAN-11-ONE
Alternate Name(s) 3,17,20,21-TETRAHYDROXYPREGNAN-11-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3
InChIKey JXCOSKURGJMQSG-UHFFFAOYSA-N
Nominal Mass 366 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(O)(C(CO)O)CCC2C2CCC3C(CCC(O)C3)(C)C2C(=O)C1
SPLASH splash10-05mo-9833000000-942bb64fece7b88bb049
Source File Reference LMCM-22369-999H
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany