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反式miyabenol C | 109605-83-6

反式miyabenol C结构式图片|109605-83-6结构式图片
反式miyabenol C
trans-miyabenol C
109605-83-6
C42H32O9
680.6981
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:反式miyabenol C结构式
6475924
名称和标识符
InChIKey RKFYYCKIHVEWHX-YOBICRQBSA-N
Inchi 1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+/t38-,40+,41+,42-/m1/s1
SMILES O1C2=C([H])C(=C([H])C(=C2[C@@]([H])(C2C([H])=C(C([H])=C(C=2[H])O[H])O[H])[C@]1([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H])[C@@]1([H])C2=C(/C(/[H])=C(\[H])/C3C([H])=C([H])C(=C([H])C=3[H])O[H])C([H])=C(C([H])=C2O[C@]1([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H])O[H])O[H]
别名信息
- 中文别名 -
- 英文别名 -
  • [3,4'-Bibenzofuran]-6,6'-diol,3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-,(2S,2'R,3S,3'R)-
  • [3,4'-Bibenzofuran]-6,6'-diol,3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxy...
  • [3,4'-Bibenzofuran]-6,6'-diol,3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphe
  • 5-[(2R,3R)-7-hydroxy-5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
  • [3,4'-Bibenzofuran]-6,6'-diol,3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-,[2S-[2a,3b(2'S*,3'S*),4(E)]]-
  • Miyabenol C
  • trans-Miyabenol C
  • (E)-trans-miyabenol C
  • cis-Miyabenol C
  • (2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-((E)-4-hydroxystyryl)-2,2',3,3'-tetrahydro-[3,4'-bibenzofuran]-6,6'-diol
  • (E)-Miyabenol C
  • Miyabenol C, trans-
  • (+)-trans-miyabenol C
  • 78H44UGJ85
  • 5-[(2R,3R)-6-hydroxy-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihy
  • UNII-78H44UGJ85
  • (3,4-Bibenzofuran)-6,6-diol, 3-(3,5-dihydroxyphenyl)-2,2,3,3-tetrahydro-2,2-bis(4-hydroxyphenyl)-4-(2-(4-hydroxyphenyl)ethenyl)-, (2S-(2alpha,3beta(2S*,3S*),4(E)))-
  • (3,4-BIBENZOFURAN)-6,6-DIOL, 3-(3,5-DIHYDROXYPHENYL)-2,2,3,3-TETRAHYDRO-2,2-BIS(4-HYDROXYPHENYL)-4-(2-(4-HYDROXYPHENYL)ETHENYL)-, (2S-(2.ALPHA.,3.BETA.(2S*,3S*),4(E)))-
  • (2S,2'R,3S,3'R)-3'-(3,5-dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6'-diol
  • 5-[(2R,3R)-6-hydroxy-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol
  • Q27145799
  • (3,4-Bibenzofuran)-6,6-diol, 3-(3,5-dihydroxyphenyl)-2,2,3,3-tetrahydro-2,2-bis(4-hydroxyphenyl)-4-((1E)-2-(4-hydroxyphenyl)ethenyl)-, (2S,2R,3S,3R)-
  • (2s,2'r,3s,3'r)-3'-(3,5-Dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-6,6'-diol
  • (2S,2R,3S,3R)-3-(3,5-Dihydroxyphenyl)-2,2,3,3-tetrahydro-2,2-bis(4-hydroxyphenyl)-4-((1E)-2-(4-hydroxyphenyl)ethenyl)(3,4-bibenzofuran)-6,6-diol
  • 168037-22-7
  • 5-[(2R,3R)-6-hydroxy-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
  • 109605-83-6
  • trans-miyabenol C
  • CHEBI:76193
  • (2S,3S,2'R,3'R)-3'-(3,5-Dihydroxy-phenyl)-2,2'-bis-(4-hydroxy-phenyl)-4-[(E)-2-(4-hydroxy-phenyl)-vinyl]-2,3,2',3'-tetrahydro-[3,4']bibenzofuranyl-6,6'-diol
物化性质
实验特性
颜色与性状 Solid powder
计算特性
精确分子量 680.20463259 g/mol
氢键供体数量 7
氢键受体数量 9
可旋转化学键数量 6
同位素质量 680.20463259 g/mol
重原子数量 51
复杂度 1150
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 1
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) 7.7
拓扑分子极性表面积 160
分子量 680.7
相关文献
专业数据库参考
PubChemId 6475924
参考资料
Reaxys RN
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