23487-12-9 (((+)-de-4'-O-methyleudesmin)

CAS号:
23487-12-9
英文名称:
(+)-de-4'-O-methyleudesmin
分子式:
C21H24O6
分子量:
372.411666870117

(+)-de-4'-O-methyleudesmin(23487-12-9)名称与标识符

名称

英文别名:
(+)-de-4'-O-methyleudesmin;(+)-mediaresinol;(+)-pinoresinol monomethyl ether;(+)-pinoresinol monomethylether;phillygenin;pinoresinol monomethyl ether;Pillygenol;Phenol, 4-[(1R,3aS,4S,6aS)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxy-, rel-;

标识符

InChIKey:
CPJKKWDCUOOTEW-SORVUCRQSA-N
Inchi:
1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m1/s1
SMILES:
C1(O)=CC=C([C@H]2[C@]3([H])CO[C@H](C4=CC=C(OC)C(OC)=C4)[C@]3([H])CO2)C=C1OC

(+)-de-4'-O-methyleudesmin(23487-12-9)物化性质

实验特性

  • 沸点 : 534.9±50.0 °C(Predicted)
  • 熔点 : 157-158 °C
  • 酸度系数(pKa) : 9.84±0.35(Predicted)
  • 密度 : 1.225±0.06 g/cm3(Predicted)

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