Try beta.chemspider
- 22 of 22 defined stereocentres
(3beta,15alpha,16alpha,21beta,22alpha)-21-Acetoxy-15,16,28-trihydroxy-22-[(3-methyl-2-butenoyl)oxy]olean-12-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosiduronic acid
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5([C@H]([C@H]([C@@]7([C@H]6CC([C@H]([C@@H]7OC(=O)C=C(C)C)OC(=O)C)(C)C)CO)O)O)C)C)C)C(=O)O)O)O)O)O)O
InChI=1S/C49H76O18/c1-21(2)18-29(52)65-40-39(63-23(4)51)44(5,6)19-25-24-12-13-27-46(9)16-15-28(45(7,8)26(46)14-17-47(27,10)48(24,11)37(58)38(59)49(25,40)20-50)64-43-36(33(56)32(55)35(66-43)41(60)61)67-42-34(57)31(54)30(53)22(3)62-42/h12,18,22,25-28,30-40,42-43,50,53-59H,13-17,19-20H2,1-11H3,(H,60,61)/t22-,25-,26-,27+,28-,30-,31+,32-,33-,34+,35-,36+,37-,38+,39-,40-,42-,43+,46-,47+,48-,49-/m0/s1
NPOLGGWOGACJQL-LTKPIJDJSA-N
CSID:10018325, http://www.chemspider.com/Chemical-Structure.10018325.html (accessed 20:11, 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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