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4,4-DIMETHYL-5-ALPHA-CHOLESTAN-3-BETA-YL-ACETATE

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4,4-DIMETHYL-5-ALPHA-CHOLESTAN-3-BETA-YL-ACETATE
SpectraBase Compound ID 6eIclmIXxds
InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h20-21,23-28H,9-19H2,1-8H3/t21-,23+,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey NRAWTYCKLCALTN-CGZVIPFHSA-N
Mol Weight 458.8 g/mol
Molecular Formula C31H54O2
Exact Mass 458.412381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6o2ErzuBHuM
Name 4,4-DIMETHYL-5-ALPHA-CHOLESTAN-3-BETA-YL-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H54O2
InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h20-21,23-28H,9-19H2,1-8H3/t21-,23+,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey NRAWTYCKLCALTN-CGZVIPFHSA-N
Literature Reference Author T.IIDA,M.KIKUCHI,T.ISHIKAWA
Literature Reference Citation ORG.MAGN.RES.,19,228(1982)
Literature Reference DOI 10.1002/mrc.1270190415
Molecular Weight 458.769 g/mol
Solvent CDCl3
Source File Reference UNIW3387