PELARGONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31O15.Cl
Molecular Weight	630.979
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=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=DIRROHKULXIUCB-DHJOXOLYSA-N

InChI=1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C27H30O15
Molecular Weight	594.5181
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:53:57 GMT 2023` Edited by `admin` on `Fri Dec 15 17:53:57 GMT 2023`
Record UNII	4OJV6238UJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PELARGONIN

Common Name

English

PELARGONIDIN 3-O-GLUCOSIDE-5-O-GLUCOSIDE

Common Name

English

PELARGONIDIN 3,5-DIGLUCOSIDE

Common Name

English

PELARGONIN (GLYCOSIDE)

Common Name

English

PELARGONIDIN 3,5-DI-.BETA.-D-GLUCOPYRANOSIDE

Common Name

English

PELARGONIDIN 3,5-DI-O-GLUCOSIDE

Common Name

English

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

Common Name

English

PELARGONIN CHLORIDE

Common Name

English

PELARGONIDIN 3,5-DI-.BETA.-D-GLUCOSIDE

Common Name

English

NSC-87526

Code

English

3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-4',7-DIHYDROXYFLAVYLIUM CHLORIDE

Common Name

English

3,4',5,7-TETRAHYDROXYFLAVYLIUM, CHLORIDE, 3,5-DIGLUCOSIDE

Common Name

English

PELARGONIDIN 3,5-DIGLUCOSIDE [MI]

Common Name

English

Code System Code Type Description

CAS

17334-58-6