Try beta.chemspider
- 16 of 19 defined stereocentres
(3beta,5xi,9xi,18xi)-3-{[3-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid
O=C(O)[C@@]72C(/C1=C/CC5[C@](C)([C@]1(C)CC2)CCC6[C@]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)CO)CC[C@]56C)(C)CO)CC(C)(C)CC7
InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-32(50)33(29(47)24(19-44)54-35)56-34-31(49)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22?,23-,24-,25?,26?,27+,28-,29-,30+,31-,32-,33+,34+,35+,38+,39+,40-,41-,42+/m1/s1
XDOWLZLNKGBUOB-RCQIKOCZSA-N
CSID:8503439, http://www.chemspider.com/Chemical-Structure.8503439.html (accessed 22:17, Apr 25, 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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