3-[(6-O-Acetyl-β-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
CAS Registry Number®
350602-26-5
CAS Name
3-[(6-O-Acetyl-β-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyryliumMolecular Formula
C23H23O12Cite this Page
3-[(6-O-Acetyl-β-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-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=350602-26-5 (retrieved ) (CAS RN: 350602-26-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1
InChIKey
InChIKey=HBXXDBKJLPLXPR-DLBZZEGUSA-O
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C(OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O)C
Other Names for this Substance
- 1-Benzopyrylium, 3-[(6-O-acetyl-β-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
- 3-[(6-O-Acetyl-β-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
- Cyanidin 3-O-(6′′-acetyl-galactoside)
