Try beta.chemspider
- 18 of 21 defined stereocentres
(3beta,5xi,9xi,18xi,22beta)-22,24,30-Trihydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid
O=C(O)[C@H]7O[C@@H](O[C@H]4CC[C@]3(C)C5C/C=C2/C1C[C@@](C)(CO)C[C@@H](O)[C@]1(C)CC[C@@]2(C)[C@]5(C)CCC3[C@@]4(C)CO)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)[C@@H](O)[C@@H]7O
InChI=1S/C42H68O15/c1-37(18-44)15-21-20-7-8-24-39(3)11-10-26(40(4,19-45)23(39)9-12-42(24,6)41(20,5)14-13-38(21,2)25(46)16-37)55-36-33(30(50)29(49)32(56-36)34(52)53)57-35-31(51)28(48)27(47)22(17-43)54-35/h7,21-33,35-36,43-51H,8-19H2,1-6H3,(H,52,53)/t21?,22-,23?,24?,25-,26+,27-,28+,29+,30+,31-,32+,33-,35+,36-,37-,38-,39+,40-,41-,42-/m1/s1
FIJCFTPYTWDAAN-XJZNNOBSSA-N
CSID:8615840, http://www.chemspider.com/Chemical-Structure.8615840.html (accessed 00:35, May 10, 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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