牛胆(8008-63-7)红外图谱(IR1)
分子式:C24H40O5
分子量: 408.5714
InChI:InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,20-,22?,23?,24?/s3
InChIKey: BHQCQFFYRZLCQQ-LVXJNUFSNA-N
Smiles:C(O)(=O)CCC(C1C2(C)[C@H](O)CC3C4(C)CC[C@H](O)C[C@]4([H])C[C@H](O)C3C2CC1)C |&1:9,17,20,23,r|