Analyte Name

beta-Truxilline

CAS Number

490-15-3

Molecular Formula

C38 H46 N2 O8

Molecular Weight

658.78

Accurate Mass

658.325

SMILES

COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)[C@@H]3[C@@H]([C@H]([C@H]3c4ccccc4)c5ccccc5)C(=O)O[C@H]6C[C@@H]7CC[C@H]([C@H]6C(=O)OC)N7C

InChI

InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)30(22-13-9-6-10-14-22)34(33)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-/m0

IUPAC

bis[(1S,3S,4R,5R)-4-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (1S,2R,3S,4R)-3,4-diphenylcyclobutane-1,2-dicarboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat