5-乙氧基-3a,4,5,6,7,7a-六氢-4,7-亚甲基-1H-茚

53126-64-0

MFCD01684360

C29 H36 O9

528.594

InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13+/t18?,20?,21?,22-,25?,26-,27?,28?,29?/m1/s1

InChIKey=MUACSCLQRGEGOE-FHUBVCCASA-N

CC1=CC2C3(CC1)COC(=O)/C=C/4\CCOC(C4O)(/C=C/C=C\C(=O)OC5[C@]3(C6(CO6)[C@@H](C5)O2)C)C(C)O

pro_donors:2

pro_acceptors:9

XLogP3:0.0

Bulk/Fine:F