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Cholesterol hydrogen phthalate(6732-01-0) IR1
Product NameCholesterol hydrogen phthalate
CAS6732-01-0
Molecular FormulaC35H50O4
Molecular Weight534.77
InChIInChI=1/C35H50O4/c1-22(2)9-8-10-23(3)29-15-16-30-28-14-13-24-21-25(17-19-34(24,4)31(28)18-20-35(29,30)5)39-33(38)27-12-7-6-11-26(27)32(36)37/h6-7,11-13,22-23,25,28-31H,8-10,14-21H2,1-5H3,(H,36,37)/t23-,25+,28+,29-,30+,31+,34+,35-/s3
InChIKey DNRPYEJJPBQNQB-RRRQKBDYNA-N
Smiles[C@@]12([H])CC=C3C[C@@H](OC(=O)C4C=CC=CC=4C(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,21,23,27,29,32,34,r|
