29106-36-3 (松脂素二甲醚,Pinoresinol dimethyl ether)

CAS号:
29106-36-3
中文名称:
松脂素二甲醚
英文名称:
Pinoresinol dimethyl ether
分子式:
C22H26O6
分子量:
386.4382
简介:
Pinoresinol dimethyl ether ((+)-Eudesmin) 是从Magnolia biondii中分离得到的一种非酚性呋喃木质素,具有神经活性。Pinoresinol dimethyl ether ((+)-Eudesmin) 可通过刺激上游 MAPK、PKC 和 PKA 通路诱导 PC12 细胞神经突起生长。

松脂素二甲醚(29106-36-3)名称与标识符

名称

中文别名:
松脂素二甲醚;(+)-桉叶素;松脂酚二甲基醚;
英文别名:
(-)-epieudesmin;(+) epipinoresinol dimethyl ether;(+-)-1c,4t-Bis-(3,4-dimethoxy-phenyl)-(3ar,6ac)-tetrahydro-furo[3,4-c]furan;(+)-epiendesmin;(+)-epieudesmin;(+)-epipinoresinol dimethyl ether;(+)-Eudesmin;epieudesmin;epipinoresinol dimethylether;phylligenin methyl ether;Pinoresinol dimethyl ether;Eudesmin;3TPV0HJ9B0;(+)-pinoresinol dimethyl ether;Pinoresinol, O,O-dimethyl-;(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan;SureCN12427086;s9436;C10561;Q27105196;(1s,3ar,4s,6ar)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,;CHEMBL519099;(1S,3alphaR,4S,6alphaR)-1,4-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-C)furan;526-06-7;1ST179486;HY-N2180;AC1L2JAN;SCHEMBL12427086;AKOS002141813;UNII-3TPV0HJ9B0;(1S,3.ALPHA.R,4S,6.ALPHA.R)-1,4-BIS(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN;CS-0019488;NSC 35476;AC1Q70YM;CCG-268481;DTXSID50951699;(1S,3aR,4S,6aR)-1,4-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan;1H,3H-Furo(3,4-c)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R-(1alpha,3aalpha,4alpha,6aalpha))-;MS-26384;29106-36-3;CHEBI:23;1,4-BIS(3,4-DIMETHOXYPHENYL)-HEXAHYDROFURO[3,4-C]FURAN;1H,3H-Furo(3,4-c)furan, 1alpha,4alpha-bis(3,4-dimethoxyphenyl)-3aalpha,4,6,6aalpha-tetrahydro-;1H,3H-Furo[3,4-c]furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-(-)-;1H,3H-Furo[3,4-c]furan, 1.alpha.,4.alpha.-bis(3,4-dimethoxyphenyl)-3a.alpha.,4,6,6a.alpha.-tetrahydro-;Di-O-methylpinoresnol;Dimethyl pinoresinol;DA-76903;1H,3H-Furo(3,4-c)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1alpha,3aalpha,4alpha,6aalpha)-(-)-;(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan;O,O-Dimethylpinoresinol;1H,3H-Furo[3,4-c]furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, [1R-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-;

标识符

MDL:
MFCD09992396
InChIKey:
PEUUVVGQIVMSAW-RZTYQLBFSA-N
Inchi:
1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1
SMILES:
O1C([H])([H])[C@]2([H])[C@@]([H])(C3C([H])=C([H])C(=C(C=3[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[C@]2([H])[C@@]1([H])C1C([H])=C([H])C(=C(C=1[H])OC([H])([H])[H])OC([H])([H])[H]

松脂素二甲醚(29106-36-3)物化性质

实验特性

  • 熔点 : 107-108 ºC
  • 溶解度 : 几乎不溶 (0.023 g/L) (25 ºC),
  • 颜色与性状 : Powder
  • 密度 : 1.173±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 386.17293854 g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 同位素质量 : 386.17293854 g/mol
  • 重原子数量 : 28
  • 复杂度 : 457
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.9
  • 拓扑分子极性表面积 : 55.4
  • 分子量 : 386.4

松脂素二甲醚(29106-36-3)国际标准相关数据

EINECS:
35476

松脂素二甲醚(29106-36-3)相关文献

松脂素二甲醚(29106-36-3)参考资料

Reaxys RN:
PubChem CID: