Dimethylisochondodendrine

CAS	518-94-5
Structure
Synonyms	7,7'-O,O-Dimethylisochondodendrine
IUPAC Name	(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene
Molecular Weight	622.75
Molecular Formula	C38H42N2O6
Canonical 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
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
Boiling Point	691.6±55.0 °C
Melting Point	272-273 °C
Purity	98%
Density	1.172±0.06 g/ml
pKa	7.56±0.20
Appearance	Powder