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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O5
Molecular Weight 398.492
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GALBANIC ACID

SMILES

C[C@H]1CCC([C@H](CCC(O)=O)[C@@]1(C)COC2=CC3=C(C=CC(=O)O3)C=C2)=C(C)C

InChI

InChIKey=CVWWNYPTZYQCSE-YFBXQHAESA-N
InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)/t16-,20-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30O5
Molecular Weight 398.492
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 Fri Dec 15 20:14:55 GMT 2023
Edited
by admin
on Fri Dec 15 20:14:55 GMT 2023
Record UNII
9OFS0HWC92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GALBANIC ACID
Common Name English
2-CYCLOHEXENE-1-BUTANOIC ACID, 6-(((2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)METHYL)-.ALPHA.,2,3,6-TETRAMETHYL-
Common Name English
(-)-GALBANIC ACID
Common Name English
CYCLOHEXANEPROPANOIC ACID, 2,3-DIMETHYL-6-(1-METHYLETHYLIDENE)-2-(((2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)METHYL)-, (1S,2S,3S)-
Common Name English
ASACOUMARIN B
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60189163
Created by admin on Fri Dec 15 20:14:55 GMT 2023 , Edited by admin on Fri Dec 15 20:14:55 GMT 2023
PRIMARY
PUBCHEM
7082474
Created by admin on Fri Dec 15 20:14:55 GMT 2023 , Edited by admin on Fri Dec 15 20:14:55 GMT 2023
PRIMARY
CAS
3566-55-0
Created by admin on Fri Dec 15 20:14:55 GMT 2023 , Edited by admin on Fri Dec 15 20:14:55 GMT 2023
PRIMARY
FDA UNII
9OFS0HWC92
Created by admin on Fri Dec 15 20:14:55 GMT 2023 , Edited by admin on Fri Dec 15 20:14:55 GMT 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR
PARENT -> CONSTITUENT ALWAYS PRESENT