24404-50-0 (表松脂素,Epipinoresinol)

CAS号:
24404-50-0
中文名称:
表松脂素
英文名称:
Epipinoresinol
分子式:
C20H22O6
分子量:
358.385086536407
植物源:

表松脂素(24404-50-0)名称与标识符

名称

中文别名:
(+)-表松脂酚;表松脂酚;表松脂素;表-松脂酚;(+)-表松脂素;
英文别名:
Phenol,4,4'-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-;Epipinoresinol;(+)-Epipinoresinol;1H,3H-Furo[3,4-c]furan,phenol deriv.;epi-Pinoresinol;Epipinoresinol(6CI,7CI);Phenol, 4,4'-(3ab,4,6,6ab-tetrahydro-1H,3H-furo[3,4-c]furan-1a,4b-diyl)bis[2-methoxy- (8CI);Phenol,4,4'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis[2-methoxy-, [1S-(1a,3aa,4b,6aa)]-;4,4'-[(1R,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxyphenol];Pinoresinol;6YKG9JJC1S;4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol;Q63408653;(+)-epi-pinoresinol;MLS002473314;HMS2196C10;ZAA40450;BDBM50379794;SMR001397395;4,4'-(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol);4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxy-phenyl)-1,;CHEMBL487611;CS-0132764;HY-N7534;PHENOL, 4,4'-((1R,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-;SCHEMBL10019016;4,4'-((1R,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXYPHENOL);FS-7643;4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol;CHEBI:132821;HGXBRUKMWQGOIE-WZBLMQSHSA-N;UNII-6YKG9JJC1S;PHENOL, 4,4'-(3A.BETA.,4,6,6A.BETA.-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1.ALPHA.,4.BETA.-DIYL)BIS(2-METHOXY-;AKOS040760382;PHENOL, 4,4'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-, (1S-(1.ALPHA.,3A.ALPHA.,4.BETA.,6A.ALPHA.))-;24404-50-0;(-)-pinoresinol;(+)-Pinoresinol;4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol);4,4'-(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol);Pinoresinol; (+)-form;4-[(1R,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol;PHENOL, 4,4'-(3ABETA,4,6,6ABETA-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1ALPHA,4BETA-DIYL)BIS(2-METHOXY-;PHENOL, 4,4'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-, (1S-(1ALPHA,3AALPHA,4BETA,6AALPHA))-;4,4'-(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diylbis(2-methoxyphenol);DA-68968;

标识符

InChIKey:
HGXBRUKMWQGOIE-WZBLMQSHSA-N
Inchi:
1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
SMILES:
O1C[C@@H]2[C@@H](C3C=CC(=C(C=3)OC)O)OC[C@@H]2[C@@H]1C1C=CC(=C(C=1)OC)O

表松脂素(24404-50-0)物化性质

实验特性

  • 沸点 : 556.5±50.0 °C at 760 mmHg
  • 熔点 : 138-139 ºC (ethanol )
  • 蒸气压 : 0.0±1.6 mmHg at 25°C
  • 闪点 : 290.4±30.1 °C
  • 溶解度 : Very 微溶 (0.14 g/L) (25 ºC),
  • 颜色与性状 : Powder
  • 密度 : 1.287±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 358.14163842 g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 4
  • 同位素质量 : 358.14163842 g/mol
  • 重原子数量 : 26
  • 复杂度 : 431
  • 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) : 2.3
  • 拓扑分子极性表面积 : 77.4
  • 分子量 : 358.4

表松脂素(24404-50-0)参考资料

Reaxys RN:
PubChem CID: