- 12 of 15 defined stereocentres
(1alpha,3alpha,6alpha,10alpha,13alpha,14alpha,15alpha,16beta,17xi)-3,15-Diacetoxy-20-ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@@H]4C[C@]([C@@H]6OC(=O)c7ccccc7)([C@H]([C@@H]5OC(=O)C)OC)O)O)OC)OC)OC(=O)C)COC
InChI=1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(41)29(49-32(40)20-12-10-9-11-13-20)24(21)36(42,31(30(34)46-7)48-19(3)39)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,41-42H,8,14-17H2,1-7H3/t21-,22+,23-,24+,25?,26-,27+,28?,29+,30-,31-,33-,34-,35?,36+/m0/s1
HAPWUGIDIIBQHS-OQEBUXSRSA-N
CSID:170428, http://www.chemspider.com/Chemical-Structure.170428.html (accessed 13:10, Mar 28, 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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