1-Benzopyrylium, 3-[(4-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride

CAS Registry Number®

88395-42-0
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CAS Name

1-Benzopyrylium, 3-[(4-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride

Molecular Formula

C23H23O12.Cl

Cite this Page

1-Benzopyrylium, 3-[(4-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88395-42-0 (retrieved 2024-09-19) (CAS RN: 88395-42-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22O12.ClH/c1-9(25)32-22-18(8-24)35-23(20(31)19(22)30)34-17-7-12-14(28)5-11(26)6-16(12)33-21(17)10-2-3-13(27)15(29)4-10;/h2-7,18-20,22-24,30-31H,8H2,1H3,(H3-,26,27,28,29);1H/t18-,19-,20-,22-,23-;/m1./s1

InChIKey

InChIKey=BZRPYRMCNMSJBL-ZTBFXASWSA-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](CO)[C@@H](OC(C)=O)[C@H](O)[C@H]4O.[Cl-]

Canonical SMILES

[Cl-].O=C(OC1C(O)C(O)C(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)OC1CO)C

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(4-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride