GARCINOLIC ACID, TRANS-

91893-83-3

MFCD07779166

C38 H46 O9

646.772

InChI=1S/C38H46O9/c1-21(2)11-10-18-36(8)19-17-24-29(39)28-30(40)26-12-9-13-27-35(6,7)47-37(34(43)44,20-16-23(5)33(41)42)38(26,27)46-32(28)25(31(24)45-36)15-14-22(3)4/h11-12,14,16-17,19,27,39H,9-10,13,15,18,20H2,1-8H3,(H,41,42)(H,43,44)/b23-16+/t27-,36+,37-,38-/m0/s1

InChIKey=VDSCKSOYNLTQSY-ITQDHCEDSA-N

CC(=CCC[C@@]1(C=Cc2c(c3c(c(c2O1)CC=C(C)C)O[C@]45[C@@H](CCC=C4C3=O)C(O[C@@]5(C/C=C(\C)/C(=O)O)C(=O)O)(C)C)O)C)C

pro_donors:3

pro_acceptors:9

XLogP3:10.0

Bulk/Fine:F