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6-BETA-JODO-5-ALPHA-CHOLESTAN-3-BETA-5-DIOL-3-ACETATE
SpectraBase Compound ID CI3oQk2ghhP
InChI InChI=1S/C29H49IO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(32)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKey DELJSAKOHWQJEF-BSMCXZHXSA-N
Mol Weight 572.6 g/mol
Molecular Formula C29H49IO3
Exact Mass 572.27264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgaesgI24tr
Name 6-BETA-JODO-5-ALPHA-CHOLESTAN-3-BETA-5-DIOL-3-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H49IO3
InChI InChI=1S/C29H49IO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(32)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKey DELJSAKOHWQJEF-BSMCXZHXSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 572.611 g/mol
Solvent CDCl3
Source File Reference UNIW1910