Molecular Weight (g/mol)

750.9

Molecular Formula

C36H50N2O13S

InChI

InChI=1S/2C18H21NO3.H2O4S.3H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4;;;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;(H2,1,2,3,4);3*1H2/t2*11-,12+,13-,17-,18-;;;;/m00..../s1

InChIKey

BOLDZXRCJAJADM-AAXBYHQXSA-N

SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.O.O.OS(=O)(=O)O

IUPAC Name

(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;sulfuric acid;trihydrate

Exact Mass (Da)

750.30336083

Monoisotopic Mass (Da)

750.30336083