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5,5'-二甲氧基落叶松脂素 | 116498-58-9

5,5'-二甲氧基落叶松脂素结构式图片|116498-58-9结构式图片
5,5'-二甲氧基落叶松脂素
5,5'-Dimethoxylariciresinol
116498-58-9
C22H28O8
420.45292
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5,5'-二甲氧基落叶松脂素结构式
14157882
名称和标识符
InChIKey HBBWYJVDBFYNOP-AYSMAOOMSA-N
Inchi InChI=1S/C22H28O8/c1-26-16-6-12(7-17(27-2)20(16)24)5-14-11-30-22(15(14)10-23)13-8-18(28-3)21(25)19(9-13)29-4/h6-9,14-15,22-25H,5,10-11H2,1-4H3/t14-,15-,22+/m0/s1
SMILES COC1=CC(=CC(=C1O)OC)CC2COC(C2CO)C3=CC(=C(C(=C3)OC)O)OC
别名信息
- 中文别名 -
  • 5,5’-二甲氧基落叶松脂素
  • 5,5'-二甲氧基落叶松树脂醇
  • 5,5'-二甲氧基落叶松脂素
- 英文别名 -
  • 5,5'-Dimethoxylariciresinol
  • 4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl) tetrahydro-2-furanyl]-2,6-dimethoxyphenol
  • 5,5'-dimethoxyariciresinol
  • [ "" ]
  • 5,5'-Dimethoxylariciresil
  • F92904
  • F92904
  • 4-[[(3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol
  • 4-[[(3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol
  • AKOS032948166
  • AKOS032948166
  • 116498-58-9
  • 116498-58-9
  • 3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-, [2S-(2,3,4)]-
  • 3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-, [2S-(2,3,4)]-
  • DTXSID301107375
  • DTXSID301107375
  • 3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-, (2S,3R,4R)-
  • 3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-, (2S,3R,4R)-
  • 4-((2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl)-2,6-dimethoxyphenol
  • 4-((2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl)-2,6-dimethoxyphenol
  • 4-[(2S,3R,4R)-4-(4-hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
  • 4-[(2S,3R,4R)-4-(4-hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
  • 0J8C029Q37
  • (2S,3R,4R)-Tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-furanmethanol
  • (+)-5,5'-Dimethoxylariciresinol
  • 0J8C029Q37
  • 3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-, (2S-(2alpha,3beta,4beta))-
  • (2S,3R,4R)-Tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-furanmethanol
  • (+)-5,5'-Dimethoxylariciresinol
  • 5,5'-Dimethoxylariciresinol, (+)-
  • 3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-, (2S-(2alpha,3beta,4beta))-
  • 3-FURANMETHANOL, TETRAHYDRO-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-4-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-, (2S-(2.ALPHA.,3.BETA.,4.BETA.))-
  • 5,5'-Dimethoxylariciresinol, (+)-
  • (+)-(7S,8R,8'R)-5,5'-dimethoxylariciresinol
  • 3-FURANMETHANOL, TETRAHYDRO-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-4-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-, (2S-(2.ALPHA.,3.BETA.,4.BETA.))-
  • (2S,3R,4R)-Tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-furanmethanol
  • (+)-(7S,8R,8'R)-5,5'-dimethoxylariciresinol
  • (+)-5,5'-Dimethoxylariciresinol
  • (2S,3R,4R)-Tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-furanmethanol
  • Q27136121
  • (+)-5,5'-Dimethoxylariciresinol
  • UNII-0J8C029Q37
  • Q27136121
  • CHEBI:67650
  • UNII-0J8C029Q37
  • FS-10187
  • CHEBI:67650
  • 5,5'-DIMETHOXYLARICIRESIL
  • FS-10187
  • 5,5'-DiMethoxylariciresinol
  • 5,5'-DIMETHOXYLARICIRESIL
  • 5,5'-DiMethoxylariciresinol
物化性质
实验特性
LogP 2.67090
PSA 106.84000
沸点 609.8±55.0 °C at 760 mmHg
蒸气压 0.0±1.8 mmHg at 25°C
闪点 322.6±31.5 °C
颜色与性状 Powder
密度 1.3±0.1 g/cm3
计算特性
精确分子量 420.17800
氢键供体数量 3
氢键受体数量 8
可旋转化学键数量 8
同位素质量 420.17841785g/mol
重原子数量 30
复杂度 491
同位素原子数量 0
确定原子立构中心数量 3
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 107Ų
专业数据库参考
PubChemId 14157882
参考资料
Reaxys RN
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