Try beta.chemspider
- 11 of 13 defined stereocentres
(1alpha,7beta,14alpha,16beta)-20-Ethyl-13-hydroxy-1,6,16-trimethoxy-14-(4-methoxybenzoyl)-4-(methoxymethyl)aconitan-8-yl acetate
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]5C[C@@]6([C@H](C[C@@]([C@H]5[C@H]6C(=O)C7=CC=C(C=C7)OC)([C@H]([C@@H]([C@H]23)OC)C41)OC(=O)C)OC)O)OC)COC 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]6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC
InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27-,29+,30-,31?,32+,33?,34-,35+/m1/s1
YRECILNLFWZVRM-SZBYBFKGSA-N
CSID:64858196, http://www.chemspider.com/Chemical-Structure.64858196.html (accessed 04:48, Jun 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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