齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯, (2a,3b)- (9CI)

50657-07-3

MFCD01076475

C27 H38 O10

522.587

InChI=1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1

InChIKey=FIAZIVNRHQWTPY-QAAPNFDWSA-N

CC[C@H](C)C(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C

pro_donors:2

pro_acceptors:10

XLogP3:5.0

Bulk/Fine:F