GALLAGIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H14O18
Molecular Weight	638.4
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=C(C(O)=C(O)C(O)=C1)C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C6=C(C=C(O)C(O)=C6O)C(O)=O

InChI

InChIKey=ZASJRRFAYSNSHU-UHFFFAOYSA-N

InChI=1S/C28H14O18/c29-5-1-3(25(39)40)7(17(33)15(5)31)9-13-11-12-14(28(44)46-23(11)21(37)19(9)35)10(20(36)22(38)24(12)45-27(13)43)8-4(26(41)42)2-6(30)16(32)18(8)34/h1-2,29-38H,(H,39,40)(H,41,42)

HIDE SMILES / InChI

Molecular Formula	C28H14O18
Molecular Weight	638.4
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:34:06 GMT 2023` Edited by `admin` on `Sat Dec 16 17:34:06 GMT 2023`
Record UNII	TSN85LPS4R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GALLAGIC ACID

Common Name

English

BENZOIC ACID, 2,2'-(5,10-DIHYDRO-2,3,7,8-TETRAHYDROXY-5,10-DIOXO(1)BENZOPYRANO(5,4,3-CDE)(1)BENZOPYRAN-1,6-DIYL)BIS(3,4,5-TRIHYDROXY-, STEREOISOMER

Systematic Name

English

2-(12-(6-CARBOXY-2,3,4-TRIHYDROXYPHENYL)-6,7,13,14-TETRAHYDROXY-3,10-DIOXO-2,9-DIOXATETRACYCLO(6.6.2.04,16.011,15)HEXADECA-1(14),4(16),5,7,11(15),12-HEXAEN-5-YL)-3,4,5-TRIHYDROXYBENZOIC ACID

Systematic Name

English

STEREOISOMER OF 2,2'-(5,10-DIHYDRO-2,3,7,8-TETRAHYDROXY-5,10-DIOXO(1)BENZOPYRANO(5,4,3-CDE)(1)BENZOPYRAN-1,6-DIYL)BIS(3,4,5-TRIHYDROXYBENZOIC ACID)

Common Name

English

Code System Code Type Description

CAS

65995-62-2