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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26O12
Molecular Weight 578.5202
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROCYANIDIN B4, (-)-

SMILES

O[C@@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C5=CC=C(O)C(O)=C5)=C2O[C@@H]1C6=CC=C(O)C(O)=C6

InChI

InChIKey=XFZJEEAOWLFHDH-VUGKQVTMSA-N
InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PROCYANIDIN B4, (-)-
Common Name English
(4,8'-BI-2H-1-BENZOPYRAN)-3,3',5,5',7,7'-HEXOL, 2,2'-BIS(3,4-DIHYDROXYPHENYL)-3,3'4,4'-TETRAHYDRO-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.(2'R*,3'R*)))-
Common Name English
(+)-CATECHIN-(4.ALPHA.->8)-(-)-EPICATECHIN
Common Name English
(-)-PROCYANIDIN B4
Common Name English
PROCYANIDOL B4
Common Name English
PROCYANIDIN B4
Common Name English
CATECHIN-(4.ALPHA.->8)-EPICATECHIN
Common Name English
(4,8'-BI-2H-1-BENZOPYRAN)-3,3',5,5',7,7'-HEXOL, 2,2'-BIS(3,4-DIHYDROXYPHENYL)-3,3',4,4'-TETRAHYDRO-, (2R,2'R,3S,3'R,4S)-
Common Name English
Code System Code Type Description
WIKIPEDIA
PROCYANIDIN B4
Created by admin on Fri Dec 15 20:39:33 GMT 2023 , Edited by admin on Fri Dec 15 20:39:33 GMT 2023
PRIMARY
CHEBI
27589
Created by admin on Fri Dec 15 20:39:33 GMT 2023 , Edited by admin on Fri Dec 15 20:39:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID50183357
Created by admin on Fri Dec 15 20:39:33 GMT 2023 , Edited by admin on Fri Dec 15 20:39:33 GMT 2023
PRIMARY
SMS_ID
300000013077
Created by admin on Fri Dec 15 20:39:33 GMT 2023 , Edited by admin on Fri Dec 15 20:39:33 GMT 2023
PRIMARY
FDA UNII
2OP8987K2X
Created by admin on Fri Dec 15 20:39:33 GMT 2023 , Edited by admin on Fri Dec 15 20:39:33 GMT 2023
PRIMARY
CAS
29106-51-2
Created by admin on Fri Dec 15 20:39:33 GMT 2023 , Edited by admin on Fri Dec 15 20:39:33 GMT 2023
PRIMARY
PUBCHEM
147299
Created by admin on Fri Dec 15 20:39:33 GMT 2023 , Edited by admin on Fri Dec 15 20:39:33 GMT 2023
PRIMARY