O-Methyldauricine

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Catalog Number
ACM2202177
Product Name
O-Methyldauricine
Structure
Structure
CAS
2202-17-7
Category
Heterocyclic Organic Compound
Synonyms
(1R)-1-[4-(5-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenoxy)benzyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Molecular Weight
638.8
Molecular Formula
C39H46N2O6
InChI
InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1
InChI Key
UHYCXSGUNAWVBW-CZNDPXEESA-N
Density
1.156g/cm³
Complexity
948
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
638.33558719
Heavy Atom Count
47
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC
Monoisotopic Mass
638.33558719
Physical State
Powder
Rotatable Bond Count
11
Topological Polar Surface Area
61.9 Ų
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