Analyte Name

ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-(5-bromo-2-pyridyl)vinyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f]isobenzofuran-6-yl]carbamate

CAS Number

1258543-06-4

Molecular Formula

C23H29BrN2O4

Molecular Weight

477.39

SMILES

C(=C/C1=CC=C(Br)C=N1)\[C@@H]2[C@]3([C@@](C[C@]4([C@]2(CC[C@@H](NC(OCC)=O)C4)[H])[H])(C(=O)O[C@@H]3C)[H])[H]

InChI

InChI=1S/C23H29BrN2O4/c1-3-29-23(28)26-17-7-8-18-14(10-17)11-20-21(13(2)30-22(20)27)19(18)9-6-16-5-4-15(24)12-25-16/h4-6,9,12-14,17-21H,3,7-8,10-11H2,1-2H3,(H,26,28)/b9-6+/t13-,14+,17-,18-,19+,20-,21+/m1/s1

IUPAC

ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-(5-bromo-2-pyridyl)vinyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f]isobenzofuran-6-yl]carbamate

Country of Origin

CANADA

Product Format

Neat