7-oxocholest-5-en-3-beta-yl acetate(809-51-8)红外图谱(IR1)
InChI:InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29-/s3
InChIKey: PMBSWZWCNKVWLV-MTSWCIIENA-N
Smiles:O=C1C=C2C[C@@H](OC(=O)C)CC[C@]2(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@H](C)CCCC(C)C)CC[C@@]3([H])[C@]12[H])C |&1:5,12,14,18,19,21,31,33,r|