Procyanidin B6

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

[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-ZBRHZRBFSA-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+/m0/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 `Sat Dec 16 16:56:44 GMT 2023` Edited by `admin` on `Sat Dec 16 16:56:44 GMT 2023`
Record UNII	SZ77QV8UB3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Procyanidin B6

Common Name

English

Procyanidol B6

Common Name

English

(2R,2R,3S,3S,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

(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.ALPHA.,3.BETA.,4.ALPHA.(2R*,3S*)))-

Systematic Name

English

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

Systematic 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,2R,3S,3S,4R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001028815