CETRARIC ACID

CCOCC1=C2OC(=O)C3=C(OC2=C(C)C(C(O)=O)=C1O)C(C=O)=C(O)C=C3C

InChIKey=SPLUKWYWJOQKMJ-UHFFFAOYSA-N

InChI=1S/C20H18O9/c1-4-27-7-11-15(23)14(19(24)25)9(3)16-18(11)29-20(26)13-8(2)5-12(22)10(6-21)17(13)28-16/h5-6,22-23H,4,7H2,1-3H3,(H,24,25)

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

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:59:42 GMT 2025` Edited by `admin` on `Mon Mar 31 19:59:42 GMT 2025`
Record UNII	38E6XBV79E
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

CETRARIC ACID

Common Name

English

CETRARIC ACID [MI]

Preferred Name

English

9-ETHOXYMETHYL-4-FORMYL-3,8-DIHYDROXY-1,6-DIMETHYL-11-OXODIBENZO(B,E)(1,4)DIOXEPIN-7-CARBOXYLIC ACID

Systematic Name

English

ISOPHTHALALDEHYDIC ACID, 2-((3-CARBOXY-.ALPHA.5-ETHOXY-4,6-DIHYDROXY-2,5-XYLYL)OXY)-4-HYDROXY-6-METHYL-, .EPSILON.-LACTONE

Systematic Name

English

11H-DIBENZO(B,E)(1,4)DIOXEPIN-7-CARBOXYLIC ACID, 9-(ETHOXYMETHYL)-4-FORMYL-3,8-DIHYDROXY-1,6-DIMETHYL-11-OXO-

Systematic Name

English

STICTIN

Common Name

English

CETRARIN

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

207-697-2