Try beta.chemspider
- 20 of 20 defined stereocentres
(3alpha,9beta,17alpha)-23,30-Dihydroxy-11,30-dioxoolean-12-en-3-yl 2-O-beta-D-mannopyranuronosyl-alpha-D-mannopyranosiduronic acid
C[C@@]12CC[C@]3(C)CC[C@@](C)(C[C@H]3C1=CC(=O)[C@@H]1[C@@]2(C)CC[C@H]2[C@](C)(CO)[C@@H](CC[C@@]21C)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)C(O)=O)C(O)=O
InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,34-,35-,37-,38-,39-,40-,41+,42+/m0/s1
WBQVRPYEEYUEBQ-QNODOFAUSA-N
CSID:113609935, http://www.chemspider.com/Chemical-Structure.113609935.html (accessed 04:29, Jun 1, 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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