Try beta.chemspider
- 18 of 20 defined stereocentres
1-O-[(3beta,5xi,18xi,19alpha)-3-(beta-D-Glucopyranuronosyloxy)-19,24-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
O=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@]75C(/C4=C/C[C@@H]3[C@@]6(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(CO)C6CC[C@@]3(C)[C@]4(C)CC5)[C@H](O)C(C)(C)CC7
InChI=1S/C42H66O16/c1-37(2)13-15-42(36(54)58-34-29(49)26(46)25(45)20(17-43)55-34)16-14-40(5)19(24(42)32(37)51)7-8-22-38(3)11-10-23(39(4,18-44)21(38)9-12-41(22,40)6)56-35-30(50)27(47)28(48)31(57-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21?,22-,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,38+,39+,40-,41-,42+/m1/s1
PVRGMAUCVQOWGZ-ASTMWPCTSA-N
CSID:8503575, http://www.chemspider.com/Chemical-Structure.8503575.html (accessed 16:09, May 4, 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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