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- 21 of 25 defined stereocentres
(5xi,9xi,18xi,22beta)-22-Hydroxy-24-oxoolean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
O=C[C@]5(C)C6CC[C@@]1(C)[C@]8(C(=C/CC1[C@@]6(C)CCC5O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)\C7CC(C)(C)C[C@@H](O)[C@]7(C)CC8)C
InChI=1S/C48H76O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,20,22-38,40-42,49-50,52-59H,9-19H2,1-7H3,(H,60,61)/t22?,23-,24-,25?,26?,27-,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,40+,41+,42-,44-,45+,46-,47-,48-/m1/s1
WIHKYILMSPQBIM-IBZZQLSVSA-N
CSID:8186697, http://www.chemspider.com/Chemical-Structure.8186697.html (accessed 19:37, May 18, 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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