Try beta.chemspider
- Double-bond stereo
- 12 of 13 defined stereocentres
(1alpha,6alpha,14alpha,16beta)-8-Acetoxy-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl (2E)-3-phenylacrylate
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)/C=C/c7ccccc7)O)OC)OC(=O)C)OC)OC)COC
InChI=1S/C36H49NO9/c1-7-37-19-33(20-41-3)16-15-24(42-4)36-23-17-34(40)25(43-5)18-35(46-21(2)38,28(31(36)37)29(44-6)30(33)36)27(23)32(34)45-26(39)14-13-22-11-9-8-10-12-22/h8-14,23-25,27-32,40H,7,15-20H2,1-6H3/b14-13+/t23-,24+,25+,27-,28+,29+,30-,31?,32-,33+,34+,35-,36+/m1/s1
TUDVGRLJFDPGNJ-IDXLRRBQSA-N
CSID:10211236, http://www.chemspider.com/Chemical-Structure.10211236.html (accessed 22:00, 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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