Stereoisomer of 4-carboxy-4-hydroxy-2,6-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoate
CAS Registry Number®
123134-19-0
CAS Name
Stereoisomer of 4-carboxy-4-hydroxy-2,6-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoateMolecular Formula
C35H28O22Molecular Mass
800.58Cite this Page
Stereoisomer of 4-carboxy-4-hydroxy-2,6-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=123134-19-0 (retrieved ) (CAS RN: 123134-19-0). 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(55-31(48)12-3-17(38)26(45)18(39)4-12)29(23)57-33(50)14-7-21(42)28(22(43)8-14)56-32(49)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)
InChIKey
InChIKey=IUPQNOUMMBZOED-UHFFFAOYSA-N
SMILES
O(C(=O)C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1)C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)CC(C(O)=O)(O)CC3OC(=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)=C3)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C1
Other Names for this Substance
- Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 4-carboxy-4-hydroxy-2,6-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, stereoisomer
- Stereoisomer of 4-carboxy-4-hydroxy-2,6-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoate