Try beta.chemspider
- 14 of 15 defined stereocentres
(2beta,3beta,9xi)-3-(alpha-D-Glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioic acid
O=C(O)[C@@]62[C@H](/C1=C/CC5[C@](C)([C@]1(C)CC2)CC[C@H]4[C@](C(=O)O)([C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@@H](O)C[C@@]45C)C)CC(C)(C)CC6
InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20-,21+,22?,23+,24+,25-,26+,27-,28+,32+,33+,34+,35-,36-/m0/s1
XCHARIIIZLLEBL-STCUALAWSA-N
CSID:8524914, http://www.chemspider.com/Chemical-Structure.8524914.html (accessed 04:28, Apr 26, 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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