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3-BETA,5-BETA,6-TRIHYDROXY-B-NOR-CHOLANATE
SpectraBase Compound ID 9k0vqpHiE
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(12-13-25(20,21)4)26(5)14-11-19(29)15-27(26,30)23(24)16-28/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24+,25-,26-,27-/m1/s1
InChIKey YYZZMNSZYFQGGG-FUARUQEFSA-N
Mol Weight 420.7 g/mol
Molecular Formula C27H48O3
Exact Mass 420.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 503Si6vaztY
Name 3-BETA,5-BETA,6-TRIHYDROXY-B-NOR-CHOLANATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O3
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(12-13-25(20,21)4)26(5)14-11-19(29)15-27(26,30)23(24)16-28/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24+,25-,26-,27-/m1/s1
InChIKey YYZZMNSZYFQGGG-FUARUQEFSA-N
Literature Reference Author C.GAN,L.FAN,J.CUI,Y.HUANG,Y.JIAO,W.WEI
Literature Reference Citation STEROIDS,77,1061(2012)
Literature Reference DOI 10.1016/j.steroids.2012.05.005
Molecular Weight 420.676 g/mol
Sample ID 70665
Solvent CDCl3