(+)-Isoliensinine

C₃₇H₄₂N₂O₆CAS 6817-41-0610.75 g/mol

Open in Covalent MOL file

Alcohol Tertiary Amine

Properties

Molecular formula: C₃₇H₄₂N₂O₆
Molar mass: 610.75 g/mol
Exact mass: 610.3043 Da
Melting point: 69–71 °C
logP: 6.46Crippen estimate
Polar surface area: 83.9 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 9

Identifiers

CAS number

6817-41-0

SMILES

COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1

InChIKey

AJPXZTKPPINUKN-FIRIVFDPSA-N

InChI

InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(44-5)37(22-29(26)30(38)16-23-6-9-27(42-3)10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(43-4)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)-
Isoliensinine
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[[1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-, [R-(R*,R*)]-
(1R)-1,2,3,4-Tetrahydro-1-[[4-hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
Isoliensinin

Work with (+)-Isoliensinine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Liensinine2586-96-1 Daurisoline70553-76-3

Elsewhere

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