180580-73-8 (葡萄素C,Vitisin C)

快速询单

结构式：

葡萄素CMOL文件

CAS号：

180580-73-8

中文名称：

葡萄素C

英文名称：

Vitisin C

分子式：

C₅₆H₄₂O₁₂

分子量：

906.925496578217

葡萄素C(180580-73-8)名称与标识符

名称

英文别名：

Vitisin C;(+)-vitisin C;DTXSID10583213;5-[(2S,3S)-4-[(E)-2-[(2R,3S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]benzene-1,3-diol;5-((2R,2S,3S,3S)-5-((1E)-2-((2S,3S)-3-(3,5-Dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl)ethenyl)-2,2,3,3-tetrahydro-6-hydroxy-2,2-bis(4-hydroxyphenyl)(3,4-bibenzofuran)-3-yl)-1,3-benzenediol;180580-73-8;1,3-BENZENEDIOL, 5-(5-(2-(3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)ETHENYL)-2,2,3,3-TETRAHYDRO-6-HYDROXY-2,2-BIS(4-HYDROXYPHENYL)(3,4-BIBENZOFURAN)-3-YL)-, (2S-(2.ALPHA.,3.BETA.,4(E(2S*,3R*(2R*,3R*)))))-;1,3-Benzenediol, 5-(5-(2-(3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl)ethenyl)-2,2,3,3-tetrahydro-6-hydroxy-2,2-bis(4-hydroxyphenyl)(3,4-bibenzofuran)-3-yl)-, (2S-(2alpha,3beta,4(E(2S*,3R*(2R*,3R*)))))-;5-[(2S,3S)-4-[(E)-2-[(2R,3S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol;UNII-M2HXT5SWE2;CHEBI:192464;M2HXT5SWE2;Q7937134;CHEMBL442911;1,3-Benzenediol, 5-((2R,2S,3S,3S)-5-((1E)-2-((2S,3S)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl)ethenyl)-2,2,3,3-tetrahydro-6-hydroxy-2,2-bis(4-hydroxyphenyl)(3,4-bibenzofuran)-3-yl)-;5-[4-[(E)-2-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-5-yl]vinyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol;5-((2S,3S)-4-((E)-2-((2R,3S)-3-((2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl)ethenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol;

标识符

InChIKey：

WZKKRZSJTLGPHH-WHSOPTDBSA-N

Inchi：

1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1+/t50-,51-,52+,54+,55+,56-/m0/s1

SMILES：

O1C2=CC(=CC(=C2[C@H](C2C=C(C=C(C=2)O)O)[C@H]1C1C=CC(=CC=1)O)[C@H]1C2C=C(/C=C/C3=CC(=CC4=C3[C@H](C3C=C(C=C(C=3)O)O)[C@@H](C3C=CC(=CC=3)O)O4)O)C=CC=2O[C@H]1C1C=CC(=CC=1)O)O