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Details

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

SHOW SMILES / InChI
Structure of Procyanidin B5

SMILES

[H][C@@]1(OC2=CC(O)=C(C(O)=C2C[C@H]1O)[C@]3([H])[C@@H](O)[C@]([H])(OC4=CC(O)=CC(O)=C34)C5=CC(O)=C(O)C=C5)C6=CC(O)=C(O)C=C6

InChI

InChIKey=GMISZFQPFDAPGI-CVJZBMGUSA-N
InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H26O12
Molecular Weight 578.5202
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:38:09 UTC 2023
Edited
by admin
on Fri Dec 15 16:38:09 UTC 2023
Record UNII
W51N19H6K6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Procyanidin B5
Common Name English
PROANTHOCYANIDIN B5
Common Name English
PROCYANIDIN B5 (CONSTITUENT OF MARITIME PINE) [DSC]
Common Name English
(-)-EPICATECHIN-(4.BETA.-6)-(-)-EPICATECHIN
Common Name English
(2R,2'R,3R,3'R,4S)-2,2'-BIS(3,4-DIHYDROXYPHENYL)-3,3',4,4'-TETRAHYDRO-2H,2'H-4,6'-BICHROMENE-3,3',5,5',7,7'-HEXOL
Systematic Name English
PROCYANIDOL B5
Common Name English
Code System Code Type Description
CHEBI
75621
Created by admin on Fri Dec 15 16:38:09 UTC 2023 , Edited by admin on Fri Dec 15 16:38:09 UTC 2023
PRIMARY
SMS_ID
300000013070
Created by admin on Fri Dec 15 16:38:09 UTC 2023 , Edited by admin on Fri Dec 15 16:38:09 UTC 2023
PRIMARY
PUBCHEM
124017
Created by admin on Fri Dec 15 16:38:09 UTC 2023 , Edited by admin on Fri Dec 15 16:38:09 UTC 2023
PRIMARY
CAS
12798-57-1
Created by admin on Fri Dec 15 16:38:09 UTC 2023 , Edited by admin on Fri Dec 15 16:38:09 UTC 2023
PRIMARY
FDA UNII
W51N19H6K6
Created by admin on Fri Dec 15 16:38:09 UTC 2023 , Edited by admin on Fri Dec 15 16:38:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID00155761
Created by admin on Fri Dec 15 16:38:09 UTC 2023 , Edited by admin on Fri Dec 15 16:38:09 UTC 2023
PRIMARY
WIKIPEDIA
Procyanidin B5
Created by admin on Fri Dec 15 16:38:09 UTC 2023 , Edited by admin on Fri Dec 15 16:38:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
USP