Try beta.chemspider
- 18 of 19 defined stereocentres
(3beta,10xi)-30-Hydroxy-25,30-dioxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
O=C(O)[C@]3(C)C[C@H]2/C1=C/C[C@H]7[C@](C)([C@]1(C)CC[C@@]2(C)CC3)CC[C@@H]6C7(C=O)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C6(C)C
InChI=1S/C42H62O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7,18,20-31,34-35,44-48H,8-17H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40+,41+,42?/m0/s1
LPJAUAFOONIRJB-OFIHHRAVSA-N
CSID:8029700, http://www.chemspider.com/Chemical-Structure.8029700.html (accessed 23:06, 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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