Try beta.chemspider
- 11 of 14 defined stereocentres
(1alpha,3alpha,5xi,14alpha,15alpha,16beta)-8-Acetoxy-20-ethyl-3,13,15-trihydroxy-1,5,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
CCN1C[C@@]2([C@@H](CC([C@]34C1[C@H](CC23OC)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)O)COC
InChI=1S/C34H47NO11/c1-7-35-16-30(17-41-3)22(37)13-23(42-4)33-20-14-31(40)27(45-29(39)19-11-9-8-10-12-19)24(20)34(46-18(2)36,26(38)28(31)43-5)21(25(33)35)15-32(30,33)44-6/h8-12,20-28,37-38,40H,7,13-17H2,1-6H3/t20-,21+,22-,23?,24-,25?,26+,27-,28+,30+,31-,32?,33-,34+/m1/s1
XDOMNJUCFKZELI-IAZHRPJGSA-N
CSID:402917, http://www.chemspider.com/Chemical-Structure.402917.html (accessed 03:27, Apr 27, 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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