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5a-Cholestane-3b,5,6b-triol 3,6-diacetate
SpectraBase Compound ID 3jXkgUCCGP0
InChI InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3/t20-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1
InChIKey FSOSLUNLZBKXMA-ZJBXHLDWSA-N
Mol Weight 504.8 g/mol
Molecular Formula C31H52O5
Exact Mass 504.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBCL8SSEt2i
Name 5-ALPHA-CHOLESTAN-3-BETA-5,6-BETA-TRIOL-3,6-DIACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O5
InChI InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3/t20-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1
InChIKey FSOSLUNLZBKXMA-ZJBXHLDWSA-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 504.751 g/mol
Solvent CHCl3
Source File Reference UNIW1900