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5-BETA-CHOLESTANE-5,6-ALPHA-DIOL-6-ACETATE
SpectraBase Compound ID 2QB5hDh43vu
InChI InChI=1S/C29H50O3/c1-19(2)10-9-11-20(3)23-12-13-24-22-18-26(32-21(4)30)29(31)16-8-7-15-28(29,6)25(22)14-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24+,25+,26+,27-,28-,29-/m1/s1
InChIKey MMJJMEZNUVBJTN-JMOFALFHSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYjQQXnPoWT
Name 5-BETA-CHOLESTANE-5,6-ALPHA-DIOL-6-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)10-9-11-20(3)23-12-13-24-22-18-26(32-21(4)30)29(31)16-8-7-15-28(29,6)25(22)14-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24+,25+,26+,27-,28-,29-/m1/s1
InChIKey MMJJMEZNUVBJTN-JMOFALFHSA-N
Literature Reference Author J.M.COXON,J.R.GIBSON
Literature Reference Citation AUSTR.J.CHEM.,34,1451(1981)
Literature Reference DOI 10.1071/ch9811451
Molecular Weight 446.714 g/mol
Solvent CDCl3
Source File Reference UNIW22764