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5-ALPHA-CHOLESTAN-3-BETA-5,6-BETA-TRIOL-TRIACETATE
SpectraBase Compound ID p85AHUMiM2
InChI InChI=1S/C33H54O6/c1-20(2)10-9-11-21(3)27-12-13-28-26-18-30(38-23(5)35)33(39-24(6)36)19-25(37-22(4)34)14-17-32(33,8)29(26)15-16-31(27,28)7/h20-21,25-30H,9-19H2,1-8H3/t21-,25+,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
InChIKey NRIMSGFXGPTUAF-ALIDYZMFSA-N
Mol Weight 546.8 g/mol
Molecular Formula C33H54O6
Exact Mass 546.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gjn7H0Cu3a
Name 5-ALPHA-CHOLESTAN-3-BETA-5,6-BETA-TRIOL-TRIACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54O6
InChI InChI=1S/C33H54O6/c1-20(2)10-9-11-21(3)27-12-13-28-26-18-30(38-23(5)35)33(39-24(6)36)19-25(37-22(4)34)14-17-32(33,8)29(26)15-16-31(27,28)7/h20-21,25-30H,9-19H2,1-8H3/t21-,25+,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
InChIKey NRIMSGFXGPTUAF-ALIDYZMFSA-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 546.788 g/mol
Solvent CDCl3
Source File Reference UNIW1901