Category
Heterocyclic Organic Compound
Synonyms
7,7'-O,O-Dimethylisochondodendrine
Molecular Formula
C38H42N2O6
InChI
InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
InChI Key
ANOXEUSGZWSCQL-LOYHVIPDSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC
Monoisotopic Mass
622.30428706
Topological Polar Surface Area
61.9 Ų