Flavylium, 3,4′-bis(D-glucopyranosyloxy)-3′,5,7-trihydroxy-, chloride
CAS Registry Number®
27459-78-5
CAS Name
Flavylium, 3,4′-bis(D-glucopyranosyloxy)-3′,5,7-trihydroxy-, chlorideMolecular Formula
C27H31O16.ClCite this Page
Flavylium, 3,4′-bis(D-glucopyranosyloxy)-3′,5,7-trihydroxy-, chloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=27459-78-5 (retrieved ) (CAS RN: 27459-78-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-13(14)32)25-16(6-11-12(31)4-10(30)5-15(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26?,27?;/m1./s1
InChIKey
InChIKey=URFPOCBTQOUSTO-ZJSPABEASA-N
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)C5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O.[Cl-]
Canonical SMILES
[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=C(O)C4
Other Names for this Substance
- Flavylium, 3,4′-bis(D-glucopyranosyloxy)-3′,5,7-trihydroxy-, chloride