(1R,2α,3R,5α)-5-Carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoate

CAS Registry Number®

123134-20-3

CAS Name

(1R,2α,3R,5α)-5-Carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoate

Molecular Formula

C35H28O22

Molecular Mass

800.58

Cite this Page

(1R,2α,3R,5α)-5-Carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123134-20-3 (retrieved 2024-11-15) (CAS RN: 123134-20-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)

InChIKey

InChIKey=OFTCZZCLDWTQNJ-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C(OC(=O)C3=CC(O)=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)=C3)CC(C(O)=O)(O)CC2OC(=O)C5=CC(O)=C(O)C(O)=C5

Canonical SMILES

O=C(O)C1(O)CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)=C4)C1

Other Names for this Substance

  • Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, (1R,2α,3R,5α)-5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester
  • Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, [1R-(1α,2α,3β,4α)]-
  • (1R,2α,3R,5α)-5-Carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoate

CAS INSIGHTSTM
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