5-Acetyl Rhein

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H10O7
Molecular Weight	326.2571
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OC1=C2C(=O)C3=C(O)C=C(C=C3C(=O)C2=CC=C1)C(O)=O

InChI

InChIKey=YBGHQNHYFJYUHT-UHFFFAOYSA-N

InChI=1S/C17H10O7/c1-7(18)24-12-4-2-3-9-14(12)16(21)13-10(15(9)20)5-8(17(22)23)6-11(13)19/h2-6,19H,1H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C17H10O7
Molecular Weight	326.2571
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:54:43 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:43 GMT 2025`
Record UNII	K7JU27EXH5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Monoacerein

Preferred Name

English

5-Acetyl Rhein

Common Name

English

5-(Acetyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenecarboxylic acid

Systematic Name

English

2-Anthracenecarboxylic acid, 5-(acetyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo-

Systematic Name

English

5-(acetyloxy)-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30433463

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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PUBCHEM

9967100

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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CAS

875535-35-6

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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FDA UNII

K7JU27EXH5

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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