3-[[6-O-(2-Carboxyacetyl)-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyrylium
CAS Registry Number®
651768-27-3
CAS Name
3-[[6-O-(2-Carboxyacetyl)-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyryliumMolecular Formula
C36H43O24Cite this Page
3-[[6-O-(2-Carboxyacetyl)-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyrylium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=651768-27-3 (retrieved ) (CAS RN: 651768-27-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)55-16-2-1-11(3-15(16)41)32-18(6-13-14(40)4-12(39)5-17(13)54-32)56-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20-,21-,24-,25-,26-,27+,28+,29-,30-,31-,33+,34-,35+,36-/m1/s1
InChIKey
InChIKey=XXFRPBJBDCHDPB-JALHFSQLSA-O
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@H]5[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H](COC(CC(O)=O)=O)O5
Canonical SMILES
O=C(O)CC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=C(O)C4)C(O)C(OC6OC(CO)C(O)C(O)C6O)C1O
Other Names for this Substance
- 1-Benzopyrylium, 3-[[6-O-(2-carboxyacetyl)-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-
- 1-Benzopyrylium, 3-[[6-O-(carboxyacetyl)-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-
- 3-[[6-O-(2-Carboxyacetyl)-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyrylium
