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3beta-Hydroxy-5-cholestene 3-butyrate(521-13-1) MS
Product Name3beta-Hydroxy-5-cholestene 3-butyrate
CAS521-13-1
Molecular FormulaC31H52O2
Molecular Weight456.74
InChIInChI=1/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/s3
InChIKey CKDZWMVGDHGMFR-ZPIQQWIFNA-N
Smiles[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,15,17,21,23,26,28,r|
