4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-7-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol

4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-7-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol · CAS 809237-87-4

中文名: 暂无
中文别名: 暂无
英文名: 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-7-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
CAS: 809237-87-4
CID: 102004602
IUPAC 名称: 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-7-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-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)-7-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
CAS: 809237-87-4
CID: 102004602
IUPAC 名称: 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-7-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol

分子属性

分子式: C42H32O11
分子量: 712.7 g/mol
精确质量: 712.19446183 Da
单同位素质量: 712.19446183 Da
XLogP: 7
极性表面积: 201 Å²
氢键供体: 9
氢键受体: 11
可旋转键: 6
重原子数: 53
净电荷: 0
结构复杂度: 1220

结构标识

InChIKey: RSCPVPKROFWCSQ-QMPRLUHESA-N
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=C3[C@@H]([C@H](OC3=C2)C4=C5C(=C(C=C4)O)[C@@H]([C@H](O5)C6=C(C=C(C=C6)O)O)C7=CC(=CC(=C7)O)O)C8=CC(=CC(=C8)O)O)O)O
InChI: InChI=1S/C42H32O11/c43-24-5-3-20(4-6-24)1-2-21-11-34(51)38-35(12-21)52-41(36(38)22-13-26(45)17-27(46)14-22)31-9-10-32(49)39-37(23-15-28(47)18-29(48)16-23)40(53-42(31)39)30-8-7-25(44)19-33(30)50/h1-19,36-37,40-41,43-51H/b2-1+/t36-,37-,40+,41+/m0/s1