U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of PELARGONIN

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

Approval Year

Name Type Language
PELARGONIN
Common Name English
PELARGONIDIN 3-O-GLUCOSIDE-5-O-GLUCOSIDE
Common Name English
PELARGONIDIN 3,5-DIGLUCOSIDE
MI  
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
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY
MERCK INDEX
m8450
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
241-360-0
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID00938359
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY
PUBCHEM
167642
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY
FDA UNII
4OJV6238UJ
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY
WIKIPEDIA
Pelargonin
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY
NSC
87526
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY
CHEBI
133365
Created by admin on Fri Dec 15 17:53:58 GMT 2023 , Edited by admin on Fri Dec 15 17:53:58 GMT 2023
PRIMARY