β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acid
CAS Registry Number®
124854-12-2
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CAS Name
β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acidMolecular Formula
C48H32O30Molecular Mass
1088.75Cite this Page
β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=124854-12-2 (retrieved ) (CAS RN: 124854-12-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2/t26-,38-,40+,41-,48+/m1/s1
InChIKey
InChIKey=DOTJYWQAPHIAIF-ATLYOFKDSA-N
SMILES
OC1=C2C=3C=4OC(=O)C2=CC(O)=C1OC=5C(C(=O)OC[C@@]6([C@@](OC(=O)C3C=C(O)C4O)([C@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)[C@@H](OC(=O)C8=CC(O)=C(O)C(O)=C8)[C@H](OC(=O)C9=CC(O)=C(O)C(O)=C9)O6)[H])[H])=CC(O)=C(O)C5O
Canonical SMILES
O=C1OC=2C(O)=C(O)C=C3C(=O)OC4C(OC(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)COC(=O)C8=CC(O)=C(O)C(O)=C8OC=9C(O)=CC1=C(C9O)C23
Other Names for this Substance
- β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acid
- 19,21-Etheno-2H-[1]benzopyrano[4,5-de]pyrano[3,2-i][1,8,12]benzotrioxacyclopentadecin, β-D-glucopyranose deriv.
- Dibenzo[b,d]pyran, β-D-glucopyranose deriv.
- Bicornin
