- 16 of 20 defined stereocentres
(3beta,5xi,9xi,14xi,18xi)-24,30-Dihydroxy-11,30-dioxoolean-12-en-3-yl 2-O-beta-D-allopyranuronosyl-beta-D-allopyranosiduronic acid
C[C@]12CC[C@](CC1C3=CC(=O)C4[C@]5(CC[C@@H]([C@](C5CC[C@]4(C3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O
InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19?,21?,22-,23+,24-,25-,26+,27+,28-,29-,30+,31?,34-,35+,37+,38-,39-,40+,41?,42+/m0/s1
WBQVRPYEEYUEBQ-JPVPBULMSA-N
CSID:10142500, http://www.chemspider.com/Chemical-Structure.10142500.html (accessed 18:42, 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
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