5-CHLOROROTIORIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23ClO5
Molecular Weight	414.879
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C3=C(C(C)=O)C(=O)O[C@]3(C)C(=O)C2=CO1

InChI

InChIKey=JCVUUNFNIHBZGF-NPQXMUAYSA-N

InChI=1S/C23H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)21(26)23(5)19(20(16)24)18(14(4)25)22(27)29-23/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H23ClO5
Molecular Weight	414.879
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:46:26 GMT 2025` Edited by `admin` on `Tue Apr 01 16:46:26 GMT 2025`
Record UNII	Z758CD7I52
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-CHLOROROTIORIN

Common Name

English

(9AS)-3-ACETYL-4-CHLORO-6-((1E,3E,5S)-3,5-DIMETHYLHEPTA-1,3-DIENYL)-9A-METHYL-FURO(3,2-G)ISOCHROMENE-2,9-DIONE

Preferred Name

English

2H-FURO(3,2-G)(2)BENZOPYRAN-2,9(9AH)-DIONE, 3-ACETYL-4-CHLORO-6-(3,5-DIMETHYL-1,3-HEPTADIENYL)-9A-METHYL-, (S-(R*,R*-(E,E)))-

Systematic Name

English

Code System Code Type Description

FDA UNII

Z758CD7I52

Created by admin on Tue Apr 01 16:46:26 GMT 2025 , Edited by admin on Tue Apr 01 16:46:26 GMT 2025

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CAS

28763-05-5

Created by admin on Tue Apr 01 16:46:26 GMT 2025 , Edited by admin on Tue Apr 01 16:46:26 GMT 2025

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PUBCHEM

122706884

Created by admin on Tue Apr 01 16:46:26 GMT 2025 , Edited by admin on Tue Apr 01 16:46:26 GMT 2025

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