Peonidine 3,5-diglucoside chloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33O16.Cl
Molecular Weight	661.005
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Peonidine 3,5-diglucoside chloride

Structure Search

SMILES

[Cl-].COC1=CC(=CC=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C4C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=CC4=[O+]2

InChI

InChIKey=NLSMPWTZYGSAEU-CYUNEVMDSA-N

InChI=1S/C28H32O16.ClH/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27;/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32);1H/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C28H33O16
Molecular Weight	625.552
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:06:04 GMT 2025` Edited by `admin` on `Mon Mar 31 19:06:04 GMT 2025`
Record UNII	3HB6WXH7ZH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Peonidine 3,5-diglucoside chloride

Common Name

English

3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-1-BENZOPYRYLIUM CHLORIDE

Preferred Name

English

Peonin chloride

Common Name

English

4?,7-Dihydroxy-3,5-di-?-glucosido-3?-methoxyflavylium chloride

Common Name

English

1-Benzopyrylium, 3,5-bis(?-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride

Systematic Name

English

Peonidin 3,5-diglucoside

Common Name

English

1-Benzopyrylium, 3,5-bis(?-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride (1:1)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

205-060-3