OCHRATOXIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22ClNO6
Molecular Weight	431.866
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(O)C3=C(C[C@@H](C)OC3=O)C(Cl)=C2

InChI

InChIKey=BPZZWRPHVVDAPT-PXAZEXFGSA-N

InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22ClNO6
Molecular Weight	431.866
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:09:29 GMT 2023` Edited by `admin` on `Fri Dec 15 18:09:29 GMT 2023`
Record UNII	0DY21HW450
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCHRATOXIN C

Common Name

English

L-PHENYLALANINE, N-((5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-, ETHYL ESTER, (R)-

Common Name

English

OCHRATOXIN A ETHYL ESTER

Common Name

English

OCHRATOXIN C [MI]

Common Name

English

L-PHENYLALANINE, N-(((3R)-5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-, ETHYL ESTER

Common Name

English

OCHRATOXIN C [HSDB]

Common Name

English

ALANINE, N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-3-PHENYL-, ETHYL ESTER, L-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00964097