- 10 of 19 defined stereocentres
Butyl 29-hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-(6-methyl-beta-D-allopyranuronosyl)-beta-D-allopyranosiduronate
CCCCOC(=O)[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2CCC3(C(C2(C)C)CCC4(C3C(=O)C=C5C4(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C(=O)OC)O)O)O)O)O
InChI=1S/C47H72O16/c1-10-11-20-59-38(55)34-30(51)31(52)35(63-39-32(53)28(49)29(50)33(61-39)37(54)58-9)40(62-34)60-27-13-14-45(6)26(42(27,2)3)12-15-47(8)36(45)25(48)21-23-24-22-44(5,41(56)57)17-16-43(24,4)18-19-46(23,47)7/h21,24,26-36,39-40,49-53H,10-20,22H2,1-9H3,(H,56,57)/t24?,26?,27?,28-,29+,30+,31-,32-,33+,34+,35-,36?,39+,40-,43?,44?,45?,46?,47?/m1/s1
DHJJPSKLKCWPDR-DCEKSMFGSA-N
CSID:4477013, http://www.chemspider.com/Chemical-Structure.4477013.html (accessed 09:37, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
Advertisement
Spotlight