Try beta.chemspider
- Double-bond stereo
- 22 of 22 defined stereocentres
(3beta,15alpha,16alpha,21beta,22alpha)-28-Acetoxy-15,16,21-trihydroxy-22-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosiduronic acid
C/C=C(/C)\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)C)C)C)O)O)COC(=O)C)(C)C)O
InChI=1S/C49H76O18/c1-12-21(2)41(61)67-39-38(58)44(5,6)19-25-24-13-14-27-46(9)17-16-28(45(7,8)26(46)15-18-47(27,10)48(24,11)36(56)37(57)49(25,39)20-62-23(4)50)64-43-35(32(54)31(53)34(65-43)40(59)60)66-42-33(55)30(52)29(51)22(3)63-42/h12-13,22,25-39,42-43,51-58H,14-20H2,1-11H3,(H,59,60)/b21-12-/t22-,25-,26-,27+,28-,29-,30+,31-,32-,33+,34-,35+,36-,37+,38-,39-,42-,43+,46-,47+,48-,49-/m0/s1
RSMVKFONZKXSQZ-HTQWHJNRSA-N
CSID:10018324, http://www.chemspider.com/Chemical-Structure.10018324.html (accessed 23:11, Apr 23, 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
Advertisement
Spotlight