1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
CAS Registry Number®
53925-30-7
CAS Name
1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)Molecular Formula
C28H33O16.ClCite this Page
1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=53925-30-7 (retrieved ) (CAS RN: 53925-30-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H32O16.ClH/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28;/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33);1H/t9-,18+,19-,21+,22+,23-,24+,25+,27-,28+;/m0./s1
InChIKey
InChIKey=AJKYRCBERDEFLR-QDTOAMOJSA-N
SMILES
O(C=1C(=[O+]C2=C(C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C4=CC(OC)=C(O)C(O)=C4)[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5.[Cl-]
Canonical SMILES
[Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(C)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=C(O)C(O)=C(OC)C5
Other Names for this Substance
- 1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
- 1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride
- 5-(D-Glucosyloxy)-3′,4′,7-trihydroxy-5′-methoxy-3-(rhamnosyloxy)flavylium chloride
- Petunidin, 5-glucoside 3-rhamnoside
- Petunidin 3-rhamnoside-5-glucoside
Deleted or Replaced CAS Registry Numbers
28680-37-7