Try beta.chemspider
- 7 of 15 defined stereocentres
(1alpha,3alpha,5xi,6alpha,8xi,9xi,10xi,14alpha,15alpha,17xi)-3,8-Diacetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
O=C(O[C@H]7[C@@]3(C5[C@]4(C2C[C@@]6(O)[C@H](OC(=O)c1ccccc1)C2C(OC(=O)C)(C(C4N(CC)C3)[C@@H]5OC)[C@@H](O)C6OC)C(OC)C7)COC)C
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-ZNADZUNGSA-N
CSID:8253872, http://www.chemspider.com/Chemical-Structure.8253872.html (accessed 04:29, Apr 26, 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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