U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of 5-Acetyl Rhein

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 Sat Dec 16 19:57:58 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:58 GMT 2023
Record UNII
K7JU27EXH5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Acetyl Rhein
Common Name English
Monoacerein
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
PUBCHEM
9967100
Created by admin on Sat Dec 16 19:57:58 GMT 2023 , Edited by admin on Sat Dec 16 19:57:58 GMT 2023
PRIMARY
CAS
875535-35-6
Created by admin on Sat Dec 16 19:57:58 GMT 2023 , Edited by admin on Sat Dec 16 19:57:58 GMT 2023
PRIMARY
FDA UNII
K7JU27EXH5
Created by admin on Sat Dec 16 19:57:58 GMT 2023 , Edited by admin on Sat Dec 16 19:57:58 GMT 2023
PRIMARY