Molecular Weight (g/mol)

449.4

Molecular Formula

C22H27NO9

InChI

InChI=1S/C18H21NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,17-,18-;1-,2-/m01/s1

InChIKey

OJHZNMVJJKMFGX-BWCYBWMMSA-N

SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

IUPAC Name

(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(2R,3R)-2,3-dihydroxybutanedioic acid

Exact Mass (Da)

449.16858144

Monoisotopic Mass (Da)

449.16858144