1,1′-[(2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl] bis(3,4,5-trihydroxybenzoate)

CAS Registry Number®

252185-32-3
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CAS Name

1,1′-[(2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl] bis(3,4,5-trihydroxybenzoate)

Molecular Formula

C44H34O19

Molecular Mass

866.73

Cite this Page

1,1′-[(2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl] bis(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=252185-32-3 (retrieved 2024-09-19) (CAS RN: 252185-32-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H34O19/c45-20-4-1-16(2-5-20)40-42(63-44(59)19-10-30(54)38(57)31(55)11-19)36(34-26(50)12-21(46)13-32(34)60-40)35-27(51)15-24(48)22-14-33(61-43(58)18-8-28(52)37(56)29(53)9-18)39(62-41(22)35)17-3-6-23(47)25(49)7-17/h1-13,15,33,36,39-40,42,45-57H,14H2/t33-,36-,39-,40-,42-/m1/s1

InChIKey

InChIKey=OLRSODFNPBNPAH-RIQPQZJCSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H]2[C@H](C=3C(O[C@@H]2C4=CC=C(O)C=C4)=CC(O)=CC3O)C5=C6C(C[C@@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)[C@H](O6)C8=CC(O)=C(O)C=C8)=C(O)C=C5O

Canonical SMILES

O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C6=CC=C(O)C=C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[(2R,2′R,3R,3′R,4R)-2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl] ester
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4R)-2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl ester
  • 1,1′-[(2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′-diyl] bis(3,4,5-trihydroxybenzoate)