[4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7′-pentol, 2,2′-bis(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,3′,4,4′-tetrahydro-, [2R-[2α,3β,4α(2′R*,3′S*)]]-
CAS Registry Number®
105330-57-2
CAS Name
[4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7′-pentol, 2,2′-bis(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,3′,4,4′-tetrahydro-, [2R-[2α,3β,4α(2′R*,3′S*)]]-Molecular Formula
C36H36O17Molecular Mass
740.66Cite this Page
[4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7′-pentol, 2,2′-bis(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,3′,4,4′-tetrahydro-, [2R-[2α,3β,4α(2′R*,3′S*)]]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=105330-57-2 (retrieved ) (CAS RN: 105330-57-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H36O17/c37-11-25-29(46)31(48)32(49)36(52-25)50-14-7-21(43)26-24(8-14)51-34(13-2-4-17(39)20(42)6-13)30(47)28(26)27-22(44)10-18(40)15-9-23(45)33(53-35(15)27)12-1-3-16(38)19(41)5-12/h1-8,10,23,25,28-34,36-49H,9,11H2
InChIKey
InChIKey=JQKHCULJNVYRGT-UHFFFAOYSA-N
SMILES
OC1C(C=2C(OC1C3=CC(O)=C(O)C=C3)=CC(OC4OC(CO)C(O)C(O)C4O)=CC2O)C5=C6C(CC(O)C(O6)C7=CC(O)=C(O)C=C7)=C(O)C=C5O
Canonical SMILES
OC1=CC=C(C=C1O)C2OC=3C(=C(O)C=C(O)C3C4C5=C(O)C=C(OC6OC(CO)C(O)C(O)C6O)C=C5OC(C7=CC=C(O)C(O)=C7)C4O)CC2O
Other Names for this Substance
- [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7′-pentol, 2,2′-bis(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,3′,4,4′-tetrahydro-, [2R-[2α,3β,4α(2′R*,3′S*)]]-