胆固醇正戊酸酯(7726-03-6)核磁图(1HNMR)
InChI:InChI=1/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/s3
InChIKey: RWTQCZGAMKTBRV-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)CCCC)CC1=CC2)[H] |&1:0,1,5,7,10,12,20,24,r|