Procyanidin B8

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 Search

SMILES

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

InChI

InChIKey=GMISZFQPFDAPGI-JJYFIROESA-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 `Wed Apr 02 08:40:44 GMT 2025` Edited by `admin` on `Wed Apr 02 08:40:44 GMT 2025`
Record UNII	KW4926C35L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Procyanidin B8

Common Name

English

Procyanidol B8

Preferred Name

English

[4,6?-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,4R)-

Systematic Name

English

(2R,2?R,3S,3?R,4R)-2,2?-Bis(3,4-dihydroxyphenyl)-3,3?,4,4?-tetrahydro[4,6?-bi-2H-1-benzopyran]-3,3?,5,5?,7,7?-hexol

Systematic Name

English

(+)-CATECHIN-(4.ALPHA.-6)-(-)-EPICATECHIN

Systematic Name

English

Code System Code Type Description

CAS

12798-60-6