Try beta.chemspider
- 15 of 17 defined stereocentres
(3S,4R,6aR,6bS,8S,8aR,9R,10R,14aS,14bR)-8a-(Acetoxymethyl)-8,9,10-trihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl bet a-D-glucopyranosiduronic acid
O=C(OC[C@]56[C@@H](O)C[C@@H]1/C(=C\C[C@H]3[C@@]1(C)CCC4[C@]([C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]34C)(C)CO)C6CC(C)(C)[C@@H](O)[C@@H]5O)C
InChI=1S/C37H58O13/c1-17(39)48-16-37-20(14-33(2,3)29(44)30(37)45)18-7-8-21-34(4,19(18)13-23(37)40)11-9-22-35(21,5)12-10-24(36(22,6)15-38)49-32-27(43)25(41)26(42)28(50-32)31(46)47/h7,19-30,32,38,40-45H,8-16H2,1-6H3,(H,46,47)/t19-,20?,21+,22?,23+,24+,25+,26+,27-,28+,29+,30+,32-,34+,35-,36+,37+/m1/s1
ALIYFTOHSKUXRR-TWVWTKORSA-N
CSID:8162939, http://www.chemspider.com/Chemical-Structure.8162939.html (accessed 00:07, 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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