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7-ALPHA-HYDROPEROXY-CHOLESTEROL

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7-ALPHA-HYDROPEROXY-CHOLESTEROL
SpectraBase Compound ID EZB6upaAkNQ
InChI InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)30-29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey KJIGLXGIVLBXCF-RVOWOUOISA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMl3LtaEqOn
Name 7-ALPHA-HYDROPEROXY-CHOLESTEROL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)30-29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey KJIGLXGIVLBXCF-RVOWOUOISA-N
Literature Reference Author P.J.SUNG,M.R.LIN,J.J.CHEN,S.F.LIN,Y.C.WU,T.L.HWANG,L.S.FANG
Literature Reference Citation CHEM.PHARM.BULL.,55,666(2007)
Literature Reference DOI 10.1248/cpb.55.666
Molecular Weight 418.660 g/mol
Sample ID 55902
Solvent CDCl3