Benzoic acid, 3,4,5-trihydroxy-, 2,2′,2′′-tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-3′′,5,5′,5′′,7,7′,7′′-heptahydroxy[4,6′:4′,8′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2S-[2α,3β,4α[2′S*,3′S*,4′R*(2′′S*,3′′R*)]]]-

CAS Registry Number®

106548-99-6

CAS Name

Benzoic acid, 3,4,5-trihydroxy-, 2,2′,2′′-tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-3′′,5,5′,5′′,7,7′,7′′-heptahydroxy[4,6′:4′,8′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2S-[2α,3β,4α[2′S*,3′S*,4′R*(2′′S*,3′′R*)]]]-

Molecular Formula

C59H46O26

Molecular Mass

1170.98

Cite this Page

Benzoic acid, 3,4,5-trihydroxy-, 2,2′,2′′-tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-3′′,5,5′,5′′,7,7′,7′′-heptahydroxy[4,6′:4′,8′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2S-[2α,3β,4α[2′S*,3′S*,4′R*(2′′S*,3′′R*)]]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106548-99-6 (retrieved 2024-11-05) (CAS RN: 106548-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)56(84-58(79)22-10-36(71)49(76)37(72)11-22)47(43)44-35(70)18-42-46(51(44)78)48(45-34(69)17-29(64)25-16-40(75)52(83-55(25)45)19-1-4-26(61)30(65)7-19)57(54(82-42)21-3-6-28(63)32(67)9-21)85-59(80)23-12-38(73)50(77)39(74)13-23/h1-15,17-18,40,47-48,52-54,56-57,60-78H,16H2

InChIKey

InChIKey=OZYIPNROAOYGSW-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C(C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(O)=C(C3O)C5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(OC=7C5=C(O)C=C(O)C7)C8=CC(O)=C(O)C=C8)C9=C%10C(CC(O)C(O%10)C%11=CC(O)=C(O)C=C%11)=C(O)C=C9O

Canonical SMILES

O=C(OC1C(OC=2C=C(O)C=C(O)C2C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C(O)=C9)C(O)C8)C4=C3O)C%10=CC=C(O)C(O)=C%10)C%11=CC(O)=C(O)C(O)=C%11

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 2,2′,2′′-tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-3′′,5,5′,5′′,7,7′,7′′-heptahydroxy[4,6′:4′,8′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2S-[2α,3β,4α[2′S*,3′S*,4′R*(2′′S*,3′′R*)]]]-