α-Truxilline

CAS Registry Number®

490-17-5

CAS Name

α-Truxilline

Molecular Formula

C38H46N2O8

Molecular Mass

658.78

Cite this Page

α-Truxilline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=490-17-5 (retrieved 2024-11-22) (CAS RN: 490-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)34(30(33)22-13-9-6-10-14-22)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/s1

InChIKey

InChIKey=BUOSLGZEBFSUDD-XFKBZBJISA-N

SMILES

C(O[C@@H]1[C@H](C(OC)=O)[C@@]2(N(C)[C@](C1)(CC2)[H])[H])(=O)[C@@H]3[C@@H]([C@@H](C(O[C@@H]4[C@H](C(OC)=O)[C@@]5(N(C)[C@](C4)(CC5)[H])[H])=O)[C@H]3C6=CC=CC=C6)C7=CC=CC=C7

Canonical SMILES

O=C(OC)C1C(OC(=O)C2C(C=3C=CC=CC3)C(C(=O)OC4CC5N(C)C(CC5)C4C(=O)OC)C2C=6C=CC=CC6)CC7N(C)C1CC7

Other Names for this Substance

  • 1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, 1,3-bis[(1R,2R,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1α,2α,3β,4β)-
  • α-Truxilline
  • 1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, stereoisomer
  • 1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, bis[(1R,2R,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1α,2α,3β,4β)-
  • Cocamine

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