2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium
CAS Registry Number®
142506-20-5
CAS Name
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyryliumMolecular Formula
C39H43O22Cite this Page
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=142506-20-5 (retrieved ) (CAS RN: 142506-20-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C39H42O22/c40-16-4-1-14(2-5-16)36(53)54-12-25-28(47)30(49)33(52)37(59-25)56-13-26-29(48)31(50)35(61-38-32(51)27(46)22(45)11-55-38)39(60-26)58-24-10-18-20(43)8-17(41)9-23(18)57-34(24)15-3-6-19(42)21(44)7-15/h1-10,22,25-33,35,37-39,45-52H,11-13H2,(H4-,40,41,42,43,44,53)/p+1/t22-,25-,26-,27+,28-,29+,30+,31+,32-,33-,35-,37-,38+,39-/m1/s1
InChIKey
InChIKey=NKWMVPVTAGESHZ-AJOFZSTGSA-O
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]6O[C@H](COC(=O)C7=CC=C(O)C=C7)[C@@H](O)[C@H](O)[C@H]6O)O4
Canonical SMILES
O=C(OCC1OC(OCC2OC(OC3=CC=4C(O)=CC(O)=CC4[O+]=C3C=5C=CC(O)=C(O)C5)C(OC6OCC(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O)C7=CC=C(O)C=C7
Other Names for this Substance
- 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium
