Try beta.chemspider
- Double-bond stereo
- 11 of 14 defined stereocentres
(1alpha,6alpha,9xi,10xi,14alpha,16beta)-14-Acetoxy-20-ethyl-3-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-8-yl (2E)-3-phenylacrylate
CCN1C[C@]2([C@H]3[C@H]([C@H]4[C@@H]1[C@]3([C@H](CC2O)OC)C5C[C@@H]6[C@H](C[C@]4(C5[C@H]6OC(=O)C)OC(=O)/C=C/c7ccccc7)OC)OC)COC
InChI=1S/C36H49NO9/c1-7-37-18-34(19-41-3)25(39)16-26(43-5)36-23-15-22-24(42-4)17-35(28(23)30(22)45-20(2)38,29(33(36)37)31(44-6)32(34)36)46-27(40)14-13-21-11-9-8-10-12-21/h8-14,22-26,28-33,39H,7,15-19H2,1-6H3/b14-13+/t22-,23?,24+,25?,26+,28?,29+,30+,31+,32-,33-,34+,35-,36+/m1/s1
GEEMTDQCJBQOPP-JJBKQPADSA-N
CSID:24534592, http://www.chemspider.com/Chemical-Structure.24534592.html (accessed 21:48, Jul 1, 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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