Szechenyine
Product Specifications
Synonyms
3-Acetyl-8-O-ethyl-14-benzoylaconine; 3-O-Acetyl-14-O-benzoyl-8-O-ethylaconine; 8-O-Ethylaconine 3-acetate 14-benzoate; O8-Ethylpolyschistine D; Polyschistine A; 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,13,14,15-tetrol deriv. (ZCI)
Hazard Statement
No Data Available
Smiles
O(C)[C@@H]1[C@@]23[C@]4([C@@](COC)([C@H](OC(C)=O)C1)CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(OCC)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[H]
Molecular Formula
C36H51NO11
Molecular Weight
673.8
InChI
InChI=1S/C36H51NO11/c1-8-37-17-33(18-42-4)22(47-19(3)38)15-23(43-5)35-21-16-34(41)30(48-32(40)20-13-11-10-12-14-20)24(21)36(46-9-2,29(39)31(34)45-7)25(28(35)37)26(44-6)27(33)35/h10-14,21-31,39,41H,8-9,15-18H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,33+,34-,35+,36-/m1/s1
Additionnal Information
IUPAC name: (3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-4-acetoxy-11a-ethoxy-1-ethyl-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
Shipping Conditions
Room Temperature
CAS Number
96562-88-8
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