4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(2R,3R)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol

4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(2R,3R)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol · CAS 152511-23-4

中文名: 暂无
中文别名: 暂无
英文名: 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(2R,3R)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
CAS: 152511-23-4
CID: 23900016
IUPAC 名称: 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(2R,3R)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol

名称与编号

中文名: 暂无
中文别名: 暂无
英文名: 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(2R,3R)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
CAS: 152511-23-4
CID: 23900016
IUPAC 名称: 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(2R,3R)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol

分子属性

分子式: C42H32O10
分子量: 696.7 g/mol
精确质量: 696.19954721 Da
单同位素质量: 696.19954721 Da
XLogP: 7.3
极性表面积: 180 Å²
氢键供体: 8
氢键受体: 10
可旋转键: 6
重原子数: 52
净电荷: 0
结构复杂度: 1190

结构标识

InChIKey: MZZSUXPEXUEIAK-JTKBGCJKSA-N
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=C3[C@H]([C@@H](OC3=C2)C4=CC=C(C=C4)O)C5=CC(=C6[C@@H]([C@H](OC6=C5)C7=CC(=C(C=C7)O)O)C8=CC(=CC(=C8)O)O)O)O)O
InChI: InChI=1S/C42H32O10/c43-27-8-3-21(4-9-27)1-2-22-13-33(49)39-35(14-22)51-41(23-5-10-28(44)11-6-23)38(39)26-18-34(50)40-36(19-26)52-42(24-7-12-31(47)32(48)17-24)37(40)25-15-29(45)20-30(46)16-25/h1-20,37-38,41-50H/b2-1+/t37-,38+,41-,42+/m0/s1