Try beta.chemspider
- 13 of 14 defined stereocentres
(1alpha,3alpha,6alpha,7beta,14alpha,16beta)-8-Ethoxy-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 3,4-dimethoxybenzoate
O=C(O[C@@H]5[C@@H]3[C@@]4(OCC)[C@H]6[C@H]1N(CC)C[C@]2([C@H](C1([C@@H](OC)C[C@H]2O)[C@@H]3C[C@]5(O)[C@@H](OC)C4)[C@H]6OC)COC)c7ccc(OC)c(OC)c7
InChI=1S/C36H53NO11/c1-9-37-17-33(18-41-3)23(38)14-24(44-6)36-20-15-34(40)25(45-7)16-35(47-10-2,27(30(36)37)28(46-8)29(33)36)26(20)31(34)48-32(39)19-11-12-21(42-4)22(13-19)43-5/h11-13,20,23-31,38,40H,9-10,14-18H2,1-8H3/t20-,23-,24+,25+,26-,27-,28+,29-,30-,31-,33+,34+,35-,36?/m1/s1
YIVSWIKKWQABGU-DAEKSCIKSA-N
CSID:9017511, http://www.chemspider.com/Chemical-Structure.9017511.html (accessed 12:15, Apr 24, 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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