O-METHYLOCHRATOXIN A, METHYL ESTER

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 of O-METHYLOCHRATOXIN A, METHYL ESTER

Structure Search

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(Cl)=C3C[C@@H](C)OC(=O)C3=C2OC

InChI

InChIKey=RCTSSFFIVYPOQC-PXAZEXFGSA-N

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:51:40 GMT 2023` Edited by `admin` on `Fri Dec 15 17:51:40 GMT 2023`
Record UNII	C7I7J73G4L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-METHYLOCHRATOXIN A, METHYL ESTER

Common Name

English

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

Common Name

English

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

Common Name

English

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

Common Name

English

Code System Code Type Description

PUBCHEM

160770

Created by admin on Fri Dec 15 17:51:40 GMT 2023 , Edited by admin on Fri Dec 15 17:51:40 GMT 2023

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CAS

4825-87-0

Created by admin on Fri Dec 15 17:51:40 GMT 2023 , Edited by admin on Fri Dec 15 17:51:40 GMT 2023

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FDA UNII

C7I7J73G4L

Created by admin on Fri Dec 15 17:51:40 GMT 2023 , Edited by admin on Fri Dec 15 17:51:40 GMT 2023

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EPA CompTox

DTXSID00197469

Created by admin on Fri Dec 15 17:51:40 GMT 2023 , Edited by admin on Fri Dec 15 17:51:40 GMT 2023

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