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CHOLESTEROL N-BUTYL CARBONATE(41371-14-6) IR1
Product NameCHOLESTEROL N-BUTYL CARBONATE
CAS41371-14-6
Molecular FormulaC32H54O3
Molecular Weight486.77
InChIInChI=1/C32H54O3/c1-7-8-20-34-30(33)35-25-16-18-31(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)32(28,6)19-17-29(26)31/h12,22-23,25-29H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/s3
InChIKey PHGPOYKRNJWODC-BBYYIBRBNA-N
Smiles[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)OCCCC)CC1=CC2)[H] |&1:0,1,5,7,10,12,20,24,r|
