Petunidin-3-(6-O-p-coumarylglucoside)-5-glucoside

CAS Registry Number®

51939-66-3

CAS Name

Petunidin-3-(6-O-p-coumarylglucoside)-5-glucoside

Molecular Formula

C37H39O19.Cl

Cite this Page

Petunidin-3-(6-O-p-coumarylglucoside)-5-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51939-66-3 (retrieved 2024-12-18) (CAS RN: 51939-66-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H38O19.ClH/c1-50-23-9-16(8-20(41)28(23)43)35-24(12-19-21(52-35)10-18(40)11-22(19)53-36-33(48)31(46)29(44)25(13-38)55-36)54-37-34(49)32(47)30(45)26(56-37)14-51-27(42)7-4-15-2-5-17(39)6-3-15;/h2-12,25-26,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43);1H/t25-,26-,29-,30-,31+,32+,33-,34-,36-,37-;/m1./s1

InChIKey

InChIKey=OBIYLRZBPFZUQG-MCZACEFTSA-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]5O[C@H](COC(C=CC6=CC=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O.[Cl-]

Canonical SMILES

[Cl-].O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=C(O)C(O)=C(OC)C5)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-, chloride (1:1)
  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride
  • Petunidin-3-(6-O-p-coumarylglucoside)-5-glucoside

CAS INSIGHTSTM
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