- 13 of 15 defined stereocentres
(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-3,8-Diacetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)C4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)C5C=CC=CC=5)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2OC(C)=O)OC
InChI=1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25?,26+,27-,28?,29+,30-,31+,33+,34-,35+,36-/m1/s1
RIPYIJVYDYCPKW-BUAOFVHRSA-N
CSID:82963956, http://www.chemspider.com/Chemical-Structure.82963956.html (accessed 14:47, Apr 18, 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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