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

Details

Stereochemistry ACHIRAL
Molecular Formula C32H20O8
Molecular Weight 532.4964
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AURANTIACIN

SMILES

OC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C3)C(=O)C(C4=CC=C(O)C=C4)=C(OC(=O)C5=CC=CC=C5)C2=O

InChI

InChIKey=UFFCRNVIKXMYLJ-UHFFFAOYSA-N
InChI=1S/C32H20O8/c33-23-15-11-19(12-16-23)25-28(36)30(40-32(38)22-9-5-2-6-10-22)26(20-13-17-24(34)18-14-20)27(35)29(25)39-31(37)21-7-3-1-4-8-21/h1-18,33-34H

HIDE SMILES / InChI

Molecular Formula C32H20O8
Molecular Weight 532.4964
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 12:57:21 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:21 GMT 2023
Record UNII
8TAT447CD8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AURANTIACIN
Common Name English
P-BENZOQUINONE, 2,5-DIHYDROXY-3,6-BIS(P-HYDROXYPHENYL)-, 2,5-DIBENZOATE
Systematic Name English
4-(BENZOYLOXY)-2,5-BIS(4-HYDROXYPHENYL)-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL BENZOATE
Systematic Name English
2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-BIS(BENZOYLOXY)-3,6-BIS(4-HYDROXYPHENYL)-
Systematic Name English
NSC-93050
Code English
2,5-BIS(BENZOYLOXY)-3,6-BIS(4-HYDROXYPHENYL)-2,5-CYCLOHEXADIENE-1,4-DIONE
Systematic Name English
Code System Code Type Description
NSC
93050
Created by admin on Sat Dec 16 12:57:21 GMT 2023 , Edited by admin on Sat Dec 16 12:57:21 GMT 2023
PRIMARY
CAS
548-32-3
Created by admin on Sat Dec 16 12:57:21 GMT 2023 , Edited by admin on Sat Dec 16 12:57:21 GMT 2023
PRIMARY
PUBCHEM
261132
Created by admin on Sat Dec 16 12:57:21 GMT 2023 , Edited by admin on Sat Dec 16 12:57:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID00203276
Created by admin on Sat Dec 16 12:57:21 GMT 2023 , Edited by admin on Sat Dec 16 12:57:21 GMT 2023
PRIMARY
FDA UNII
8TAT447CD8
Created by admin on Sat Dec 16 12:57:21 GMT 2023 , Edited by admin on Sat Dec 16 12:57:21 GMT 2023
PRIMARY