3-[[6-O-(3-Carboxy-1-oxopropyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium chloride (1:1)

CAS Registry Number®

216692-08-9

CAS Name

3-[[6-O-(3-Carboxy-1-oxopropyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium chloride (1:1)

Molecular Formula

C25H25O14.Cl

Cite this Page

3-[[6-O-(3-Carboxy-1-oxopropyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=216692-08-9 (retrieved 2024-11-25) (CAS RN: 216692-08-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H24O14.ClH/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31;/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31);1H/t18-,21-,22+,23-,25-;/m1./s1

InChIKey

InChIKey=HCMYYTZQNUKSIJ-VZXFINSXSA-N

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(CCC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]4O.[Cl-]

Canonical SMILES

[Cl-].O=C(O)CCC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O

Other Names for this Substance

  • 1-Benzopyrylium, 3-[[6-O-(3-carboxy-1-oxopropyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 3-[[6-O-(3-carboxy-1-oxopropyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
  • 3-[[6-O-(3-Carboxy-1-oxopropyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium chloride (1:1)

CAS INSIGHTSTM
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