Try beta.chemspider
- 15 of 18 defined stereocentres
(3beta,5xi,9xi,16alpha,18xi)-16,28-Dihydroxy-28-oxoolean-12-en-3-yl 3-O-beta-D-xylopyranosyl-beta-D-glucopyranosiduronic acid
O=C(O)[C@@]72C(/C1=C/CC6[C@](C)([C@]1(C)C[C@H]2O)CCC5[C@]6(C)CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)C5(C)C)CC(C)(C)CC7
InChI=1S/C41H64O14/c1-36(2)14-15-41(35(50)51)20(16-36)19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-39(23,6)40(19,7)17-24(41)43)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20?,21-,22?,23?,24-,25+,26+,27-,28+,29-,30+,31+,33+,34-,38+,39-,40-,41-/m1/s1
DXTKQPDBQCEIBT-RTUXEZADSA-N
CSID:9631865, http://www.chemspider.com/Chemical-Structure.9631865.html (accessed 14:02, Apr 24, 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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