PETUNIDIN 3,5-DIGLUCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33O17.Cl
Molecular Weight	677.004
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].COC1=C(O)C(O)=CC(=C1)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=YRSDVHGZBOKELJ-DHXGRXBNSA-N

InChI=1S/C28H32O17.ClH/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27;/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33);1H/t17-,18-,20-,21-,22+,23+,24-,25-,27-,28-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C28H32O17
Molecular Weight	640.5435
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:45:22 GMT 2023` Edited by `admin` on `Sat Dec 16 00:45:22 GMT 2023`
Record UNII	57JCR243MT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PETUNIDIN 3,5-DIGLUCOSIDE

Common Name

English

PETUNIN

Common Name

English

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

Common Name

English

PETUNIDIN 3,5-DIGLUCOSIDE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m8575

Created by admin on Sat Dec 16 00:45:22 GMT 2023 , Edited by admin on Sat Dec 16 00:45:22 GMT 2023

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Merck Index

FDA UNII

57JCR243MT

Created by admin on Sat Dec 16 00:45:22 GMT 2023 , Edited by admin on Sat Dec 16 00:45:22 GMT 2023

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CAS

25846-73-5

Created by admin on Sat Dec 16 00:45:22 GMT 2023 , Edited by admin on Sat Dec 16 00:45:22 GMT 2023

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PUBCHEM

71587075

Created by admin on Sat Dec 16 00:45:22 GMT 2023 , Edited by admin on Sat Dec 16 00:45:22 GMT 2023

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