4-O-CARBOXYMETHYLASCOCHLORIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31ClO6
Molecular Weight	462.963
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 4-O-CARBOXYMETHYLASCOCHLORIN

Structure Search

SMILES

C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\C=C\C(C)=C\CC2=C(OCC(O)=O)C(Cl)=C(C)C(C=O)=C2O

InChI

InChIKey=YRRAKQFQGINEPT-KPKJWKMQSA-N

InChI=1S/C25H31ClO6/c1-14(10-11-25(5)15(2)7-9-20(28)17(25)4)6-8-18-23(31)19(12-27)16(3)22(26)24(18)32-13-21(29)30/h6,10-12,15,17,31H,7-9,13H2,1-5H3,(H,29,30)/b11-10+,14-6+/t15-,17+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H31ClO6
Molecular Weight	462.963
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:00:40 GMT 2025` Edited by `admin` on `Mon Mar 31 23:00:40 GMT 2025`
Record UNII	I1BK0ZE06X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AS-6

Preferred Name

English

4-O-CARBOXYMETHYLASCOCHLORIN

Common Name

English

ACETIC ACID, (2-CHLORO-4-FORMYL-5-HYDROXY-3-METHYL-6-(3-METHYL-5-(1,2,6-TRIMETHYL-3-OXOCYCLOHEXYL)-2,4-PENTADIENYL)PHENOXY)-, (1R-(1.ALPHA.(2E,4E),2.BETA.,6.BETA.))-

Systematic Name

English

ACETIC ACID, 2-(2-CHLORO-4-FORMYL-5-HYDROXY-3-METHYL-6-((2E,4E)-3-METHYL-5-((1R,2R,6R)-1,2,6-TRIMETHYL-3-OXOCYCLOHEXYL)-2,4-PENTADIEN-1-YL)PHENOXY)-

Systematic Name

English

ACETIC ACID, (2-CHLORO-4-FORMYL-5-HYDROXY-3-METHYL-6-((2E,4E)-3-METHYL-5-((1R,2R,6R)-1,2,6-TRIMETHYL-3-OXOCYCLOHEXYL)-2,4-PENTADIENYL)PHENOXY)-

Systematic Name

English

Code System Code Type Description

FDA UNII

I1BK0ZE06X

Created by admin on Mon Mar 31 23:00:40 GMT 2025 , Edited by admin on Mon Mar 31 23:00:40 GMT 2025

PRIMARY

CAS

84435-25-6

Created by admin on Mon Mar 31 23:00:40 GMT 2025 , Edited by admin on Mon Mar 31 23:00:40 GMT 2025

PRIMARY

PUBCHEM

6438999

Created by admin on Mon Mar 31 23:00:40 GMT 2025 , Edited by admin on Mon Mar 31 23:00:40 GMT 2025

PRIMARY

Related Record Type Details


					I1BK0ZE06X

4-O-CARBOXYMETHYLASCOCHLORIN

ACTIVE MOIETY