rel-(-)-5-[(2R,3R,5S,6S)-5-[(2R,3R)-3-(3,5-Dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b′]difuran-3-yl]-1,3-benzenediol

CAS Registry Number®

205440-11-5
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CAS Name

rel-(-)-5-[(2R,3R,5S,6S)-5-[(2R,3R)-3-(3,5-Dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b′]difuran-3-yl]-1,3-benzenediol

Molecular Formula

C56H42O12

Molecular Mass

906.93

Cite this Page

rel-(-)-5-[(2R,3R,5S,6S)-5-[(2R,3R)-3-(3,5-Dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b′]difuran-3-yl]-1,3-benzenediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=205440-11-5 (retrieved 2024-05-02) (CAS RN: 205440-11-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H42O12/c57-34-10-1-28(2-11-34)3-18-43-50-46(67-54(29-4-12-35(58)13-5-29)48(50)32-19-38(61)23-39(62)20-32)27-47-51(43)53(56(68-47)31-8-16-37(60)17-9-31)44-25-42(65)26-45-52(44)49(33-21-40(63)24-41(64)22-33)55(66-45)30-6-14-36(59)15-7-30/h1-27,48-49,53-65H/b18-3+/t48-,49-,53+,54+,55+,56-/m1/s1

InChIKey

InChIKey=GLQOGVYZTTVYKZ-NNJXGGENSA-N

SMILES

C(=C/C1=CC=C(O)C=C1)\C2=C3[C@@H]([C@H](OC3=CC4=C2[C@H]([C@@H](O4)C5=CC=C(O)C=C5)C6=CC(O)=CC(O)=C6)C7=CC=C(O)C=C7)C8=C9[C@H]([C@@H](OC9=CC(O)=C8)C%10=CC=C(O)C=C%10)C%11=CC(O)=CC(O)=C%11

Canonical SMILES

OC1=CC=C(C=C1)C=CC=2C3=C(OC(C4=CC=C(O)C=C4)C3C=5C=C(O)C=C(O)C5)C=C6OC(C7=CC=C(O)C=C7)C(C=8C=C(O)C=C9OC(C%10=CC=C(O)C=C%10)C(C=%11C=C(O)C=C(O)C%11)C98)C62

Other Names for this Substance

  • 1,3-Benzenediol, 5-[(2R,3R,5S,6S)-5-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b′]difuran-3-yl]-, rel-(-)-
  • 1,3-Benzenediol, 5-[5-[3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b′]difuran-3-yl]-, [2α,3β(2S*,3S*),4(E),5β,6α]-(-)-
  • rel-(-)-5-[(2R,3R,5S,6S)-5-[(2R,3R)-3-(3,5-Dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b′]difuran-3-yl]-1,3-benzenediol
  • Flexuosol A

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