Chebulic acid, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H12O11
Molecular Weight	356.2385
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1([C@@H](CC(O)=O)C(O)=O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C12)C(O)=O

InChI

InChIKey=COZMWVAACFYLBI-WJTZTYNYSA-N

InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t3-,8-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H12O11
Molecular Weight	356.2385
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:18:52 GMT 2023` Edited by `admin` on `Sat Dec 16 19:18:52 GMT 2023`
Record UNII	VJ8PU9QFN6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Chebulic acid, (+)-

Common Name

English

Butanedioic acid, [(3R,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-, (2R)-

Systematic Name

English

(2R)-2-[(3R,4R)-3-Carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]butanedioic acid

Systematic Name

English

Butanedioic acid, 2-[(3R,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-, (2R)-

Systematic Name

English

Code System Code Type Description

CAS

223271-97-4

Created by admin on Sat Dec 16 19:18:52 GMT 2023 , Edited by admin on Sat Dec 16 19:18:52 GMT 2023

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PUBCHEM

154828468

Created by admin on Sat Dec 16 19:18:52 GMT 2023 , Edited by admin on Sat Dec 16 19:18:52 GMT 2023

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FDA UNII

VJ8PU9QFN6

Created by admin on Sat Dec 16 19:18:52 GMT 2023 , Edited by admin on Sat Dec 16 19:18:52 GMT 2023

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