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(+)-松脂酚 | 487-36-5

(+)-松脂酚
Pinoresinol
487-36-5
C20H22O6
358.3851
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(+)-松脂酚结构式
329756010
(+)-松脂酚价格
简介
Pinoresinol 是植物来源的木质素,用于毛毛虫中的防御。Pinoresinol 极大地使癌细胞对 TNF 相关的凋亡诱导配体 TRAIL 诱导的凋亡敏感。
名称和标识符
MDL MFCD07784516
InChIKey HGXBRUKMWQGOIE-AFHBHXEDSA-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([H])([H])[C@]2([H])[C@@]([H])(C3C([H])=C([H])C(=C(C=3[H])OC([H])([H])[H])O[H])OC([H])([H])[C@]2([H])[C@@]1([H])C1C([H])=C([H])C(=C(C=1[H])OC([H])([H])[H])O[H]
别名信息
- 中文别名 -
  • 松脂酚
  • (+)-松脂酚
  • (+)-松脂醇
  • (+)-松脂醇二葡萄糖苷
  • (+)-松脂素
  • 松脂醇
  • 松酯醇
  • 松脂素
- 英文别名 -
  • Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-
  • (+)-PINORESINOL
  • PINORESINOL
  • 4,4′-((1S,3aR,4S,6aR)-Hexahydrofuro[3,4-c]furan-1,4-diyl)bis(2-methoxyphenol)
  • 4,4′-[(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2-methoxyphenol)
  • [ "" ]
  • (-)-pinoresinol
  • ( inverted exclamation markA)-Pinoresinol
  • 4-[(3As,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyph
  • 4,4'-(1s,3ar,4s,6ar)-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol)
  • V4N1UDY811
  • (7alpha,7'alpha,8alpha,8'alpha)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol
  • 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
  • 4-[(3S,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
  • (+)-Pinoresinol
  • Pinoresinol
  • Phenol,4,4'-[(1S,3aR,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-
  • Pinoresinol, analytical reference material
  • DTXSID20964099
  • PHENOL, 4,4'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYLBIS(2-METHOXY-, (1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-
  • Phenol, 4,4'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diylbis(2-methoxy-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-
  • P2568
  • AKOS037514981
  • BRD-K78515374-001-01-5
  • Pinoresinol, >=95.0% (HPLC)
  • UNII-V4N1UDY811
  • 487-36-5
  • PINORESINOL, (+)-
  • NSC 35444
  • 4,4'-((1S,3aR,4S,6aR)-Hexahydrofuro[3,4-c]furan-1,4-diyl)bis(2-methoxyphenol)
  • SCHEMBL122105
  • CHEMBL260183
  • NCGC00180117-01
  • PHENOL, 4,4'-((1S,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-
  • ACon1_001809
  • (+)-Pinoresinol (>80% ee)
  • Pinoresinol, >=95% (HPLC)
  • D82113
  • CS-0032788
  • HY-N6253
  • CHEBI:8225
  • pino-resinol
  • CS-0016092
  • MEGxp0_000829
  • NSC-35444
  • Q3388802
  • CHEBI:40
  • HY-N0957
  • C05366
  • Phenol, 4,4'-[(1S,3aR,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-
  • BS-16858
  • D-PINORESINOL
  • MFCD07784516
  • (+)-Pinoresinol, 4,4'-((1S,3aR,4S,6aR)-Hexahydrofuro[3,4-c]furan-1,4-diyl)bis(2-methoxyphenol)
  • 4,4'-[Hexahydrofuro[3,4-c]furan-1,4-diyl]bis(2-methoxyphenol)
  • D91065
  • CHEMBL2252392
  • 4-[6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
  • B0005-188759
  • NSC35444
  • SCHEMBL122106
  • 4,4'-(Hexahydrofuro[3,4-c]furan-1,4-diyl)bis(2-methoxyphenol)
  • 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
  • 4263-88-1
  • 4,4'-[(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2-methoxyphenol)
  • (+/-)-PINORESINOL
  • Phenol,4'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis[2-methoxy-, [1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-
  • FT-0775687
  • bmse010297
  • 7452-03-1
  • H1692
  • HMS3347E17
物化性质
实验特性
LogP 3.19020
PSA 77.38000
沸点 556.5±50.0 °C at 760 mmHg
蒸气压 0.0±1.6 mmHg at 25°C
闪点 290.4±30.1 °C
溶解度 DMSO: ≥6mg/mL
颜色与性状 Solid
密度 1.3±0.1 g/cm3
计算特性
精确分子量 358.14200
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
国际标准相关数据
EINECS 35444
合成路线

合成路线:1 步

反应条件:
参考文献:
Controlling the polymerization of coniferyl alcohol with cyclodextrins
Tarrago, Lionel; Modolo, Camille; Yemloul, Mehdi; Robert, Viviane; Rousselot-Pailley, Pierre; et al, New Journal of Chemistry, 2018, 42(14), 11770-11775

合成路线:1 步

反应条件:
参考文献:
Laccase catalyses phytophenol furanocyclic dimerization: Substrate specificity and diastereoselective process
Li, Xican ; et al, Journal of Molecular Structure, 2023, 1274,

合成路线:1 步

反应条件:
参考文献:
Enantioselective lignan synthesis by cell-free extracts of Forsythia koreana
Umezawa, Toshiaki; et al, Bioscience, 1994, 58(2), 230-4
相关文献
专业数据库参考
PubChemId 329756010
参考资料
Reaxys RN
化合物详情(旧版)
 
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