Isochondrodendrine

Catalog Number	ACM477623
CAS Number	477-62-3
Structure
Synonyms	Isobebeerin
Molecular Weight	594.7
InChI	InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3/t27-,28-/m1/s1
InChI Key	XIOGHHPVBVXQIV-VSGBNLITSA-N
Melting Point	316 °C
Purity	90%+
Complexity	866
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	594.27298694
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
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(=C5O)OC)C)O)OC
Monoisotopic Mass	594.27298694
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	83.9 Ų

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