Try beta.chemspider
- 10 of 13 defined stereocentres
(1alpha,6alpha,7beta,8xi,13alpha,14alpha,16beta)-20-Ethyl-13-hydroxy-1,6,16-trimethoxy-14-(4-methoxybenzoyl)-4-(methoxymethyl)aconitan-8-yl acetate
CC(=O)OC12C[C@H](OC)[C@]3(O)C[C@H]([C@@H]1[C@H]3C(=O)C1=CC=C(C=C1)OC)[C@]13[C@@H]4[C@@H](OC)[C@@H]2C1N(CC4(COC)CC[C@@H]3OC)CC
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-GAHMKKQJSA-N
CSID:78429469, http://www.chemspider.com/Chemical-Structure.78429469.html (accessed 02:46, Jun 6, 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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