Vitisin A

CAS Registry Number®

142449-89-6

CAS Name

Vitisin A

Molecular Formula

C56H42O12

Molecular Mass

906.93

Cite this Page

Vitisin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142449-89-6 (retrieved 2024-11-29) (CAS RN: 142449-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H42O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1

InChIKey

InChIKey=XAXVWWYPKOGXSY-DBHYGPPCSA-N

SMILES

OC1=CC2=C3[C@](C=4C([C@@H]([C@H]2C5=CC(/C=C/C6=C7[C@@H]([C@H](OC7=CC(O)=C6)C8=CC=C(O)C=C8)C9=CC(O)=CC(O)=C9)=CC=C5O)C%10=CC=C(O)C=C%10)=C(O)C=C(O)C4)([C@H](OC3=C1)C%11=CC=C(O)C=C%11)[H]

Canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC(O)=CC(C=CC4=CC=C(O)C(=C4)C5C=6C=C(O)C=C7OC(C8=CC=C(O)C=C8)C(C=9C=C(O)C=C(O)C9C5C%10=CC=C(O)C=C%10)C76)=C3C2C=%11C=C(O)C=C(O)C%11

Other Names for this Substance

  • Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[5-[(1E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2-hydroxyphenyl]-1,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)-, (1S,6R,7S,11bS)-
  • Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[5-[2-[3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2-hydroxyphenyl]-1,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)-
  • (1S,6R,7S,11bS)-6-[5-[(1E)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2-hydroxyphenyl]-1,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol
  • Vitisin A
  • Vitisin A (Vitis coignetiae)

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