Try beta.chemspider
- 16 of 18 defined stereocentres
1-O-[(3beta,9xi,18xi)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-altropyranose
O=C(O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO)[C@@]75C(/C4=C/CC3[C@@]6(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]6CC[C@@]3(C)[C@]4(C)CC5)CC(C)(C)CC7
InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21?,22-,23+,24?,25+,26-,27-,28+,29+,30+,31-,32+,34+,35-,39+,40-,41-,42+/m1/s1
YOSRLTNUOCHBEA-BTQALDAESA-N
CSID:8615749, http://www.chemspider.com/Chemical-Structure.8615749.html (accessed 03:23, 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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