- 12 of 15 defined stereocentres
(1alpha,3alpha,5xi,6alpha,9xi,10xi,14alpha,16beta)-8-Acetoxy-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
CC(=O)O[C@@]12[C@H]3[C@@H](C4[C@@]5(C[N@]([C@H]3[C@]4([C@H](C[C@H]5O)OC)C6C1[C@H]([C@](C6)([C@H]([C@@H]2O)OC)O)OC(=O)c7ccccc7)C)COC)OC
InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18?,19-,20+,21?,22+,23+,24?,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
XUHJBXVYNBQQBD-FPFAUHQJSA-N
CSID:21339697, http://www.chemspider.com/Chemical-Structure.21339697.html (accessed 06:12, Apr 20, 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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