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Details

Stereochemistry ACHIRAL
Molecular Formula C20H16O10
Molecular Weight 416.335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Physodalic acid

SMILES

CC(=O)OCC1=C2OC(=O)C3=C(C)C=C(O)C(C=O)=C3OC2=C(C)C(C(O)=O)=C1O

InChI

InChIKey=SKXNIRUDASOCCN-UHFFFAOYSA-N
InChI=1S/C20H16O10/c1-7-4-12(23)10(5-21)17-13(7)20(27)30-18-11(6-28-9(3)22)15(24)14(19(25)26)8(2)16(18)29-17/h4-5,23-24H,6H2,1-3H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C20H16O10
Molecular Weight 416.335
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 Mon Mar 31 18:51:49 GMT 2025
Edited
by admin
on Mon Mar 31 18:51:49 GMT 2025
Record UNII
U4E5QA3SQ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 9-[(acetyloxy)methyl]-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-
Preferred Name English
Physodalic acid
Common Name English
9-[(Acetyloxy)methyl]-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
U4E5QA3SQ2
Created by admin on Mon Mar 31 18:51:49 GMT 2025 , Edited by admin on Mon Mar 31 18:51:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID60238241
Created by admin on Mon Mar 31 18:51:49 GMT 2025 , Edited by admin on Mon Mar 31 18:51:49 GMT 2025
PRIMARY
CAS
90689-60-4
Created by admin on Mon Mar 31 18:51:49 GMT 2025 , Edited by admin on Mon Mar 31 18:51:49 GMT 2025
PRIMARY
PUBCHEM
5489369
Created by admin on Mon Mar 31 18:51:49 GMT 2025 , Edited by admin on Mon Mar 31 18:51:49 GMT 2025
PRIMARY