胆甾醇溴(516-91-6)核磁图(1HNMR)
InChI:InChI=1/C27H45Br/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/s3
InChIKey: WDRGNJZPWVRVSN-XFNGPGOHNA-N
Smiles:[C@@]12([H])CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](Br)CC3=CC[C@@]21[H] |&1:0,4,5,13,17,19,23,29,r|