CYANIDIN 3,5-DIGLUCOSIDE ION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31O16
Molecular Weight	611.5254
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of CYANIDIN 3,5-DIGLUCOSIDE ION

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=RDFLLVCQYHQOBU-ZOTFFYTFSA-O

InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H30O16
Molecular Weight	610.5175
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:02:58 GMT 2025` Edited by `admin` on `Tue Apr 01 19:02:58 GMT 2025`
Record UNII	2U0001Z916
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYANIDIN 3,5-DIGLUCOSIDE ION

Common Name

English

CYANIDIN 3,5-DIGLUCOSIDE CATION

Preferred Name

English

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

Systematic Name

English

CYANIDIN 3,5-.BETA.-D-O-DIGLUCOSIDE

Systematic Name

English

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

Systematic Name

English

CYANIDIN-3,5-DI-O-GLUCOSIDE

Common Name

English

FLAVYLIUM, 3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-3',4',7-TRIHYDROXY-

Systematic Name

English

CYANIDIN 3-O-GLUCOSIDE-5-O-GLUCOSIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70331611

Created by admin on Tue Apr 01 19:02:58 GMT 2025 , Edited by admin on Tue Apr 01 19:02:58 GMT 2025

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FDA UNII

2U0001Z916

Created by admin on Tue Apr 01 19:02:58 GMT 2025 , Edited by admin on Tue Apr 01 19:02:58 GMT 2025

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PUBCHEM

441688

Created by admin on Tue Apr 01 19:02:58 GMT 2025 , Edited by admin on Tue Apr 01 19:02:58 GMT 2025

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CAS

20905-74-2

Created by admin on Tue Apr 01 19:02:58 GMT 2025 , Edited by admin on Tue Apr 01 19:02:58 GMT 2025

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