1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-β-D-xylopyranosyl-β-D-galactopyranosyl)oxy]-, chloride
CAS Registry Number®
155380-00-0
CAS Name
1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-β-D-xylopyranosyl-β-D-galactopyranosyl)oxy]-, chlorideMolecular Formula
C27H31O15.ClCite this Page
1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-β-D-xylopyranosyl-β-D-galactopyranosyl)oxy]-, chloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=155380-00-0 (retrieved ) (CAS RN: 155380-00-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H30O15.ClH/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26;/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31);1H/t15-,19-,20+,21+,22+,23-,25-,26+,27-;/m1./s1
InChIKey
InChIKey=FUTHWKMJPWBASU-YLFQKYQNSA-N
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC)=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)O4.[Cl-]
Canonical SMILES
[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)C(=[O+]C2C1)C=5C=CC(O)=C(OC)C5
Other Names for this Substance
- 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-β-D-xylopyranosyl-β-D-galactopyranosyl)oxy]-, chloride
- 4′,5,7-Trihydroxy-3′-methoxy-3-[(O-xylosylgalactosyl)oxy]flavylium chloride
Deleted or Replaced CAS Registry Numbers
103066-95-1