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[4,8′:4′,6′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β[2′R*,3′R*,4′S*(2′′R*,3′′S*)]]]-

CAS Registry Number®

106533-65-7

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[4,8′:4′,6′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β[2′R*,3′R*,4′S*(2′′R*,3′′S*)]]]-

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[4,8′:4′,6′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β[2′R*,3′R*,4′S*(2′′R*,3′′S*)]]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106533-65-7 (retrieved 2024-11-05) (CAS RN: 106533-65-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QCFCSTSCUPJEFV-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)=CC3O)C5=C6C(C(C(OC(=O)C7=CC(O)=C(O)C(O)=C7)C(O6)C8=CC(O)=C(O)C=C8)C=9C(O)=C%10C(=CC9O)OC(C(O)C%10)C%11=CC(O)=C(O)C=C%11)=C(O)C=C5O

Canonical SMILES

O=C(OC1C(OC=2C(=C(O)C=C(O)C2C3C=4C(O)=CC(O)=CC4OC(C5=CC=C(O)C(O)=C5)C3OC(=O)C6=CC(O)=C(O)C(O)=C6)C1C7=C(O)C=C8OC(C9=CC=C(O)C(O)=C9)C(O)CC8=C7O)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[4,8′:4′,6′′-ter-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β[2′R*,3′R*,4′S*(2′′R*,3′′S*)]]]-