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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMERULIDIAL

SMILES

C[C@]12C[C@@]1(C=O)C(C=O)=C3CC(C)(C)C[C@H]3[C@@H]2O

InChI

InChIKey=NFLNZGQBGCPDMT-DZGBDDFRSA-N
InChI=1S/C15H20O3/c1-13(2)4-9-10(5-13)12(18)14(3)7-15(14,8-17)11(9)6-16/h6,8,10,12,18H,4-5,7H2,1-3H3/t10-,12+,14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H20O3
Molecular Weight 248.3175
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:10:08 GMT 2025
Edited
by admin
on Wed Apr 02 13:10:08 GMT 2025
Record UNII
69HA64EN5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYL-, (1AS,5AR,6S,6AS)-
Preferred Name English
ISOMERULIDIAL
Common Name English
CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYL-, (1AS-(1A.ALPHA.,5A.ALPHA.,6.ALPHA.,6A.ALPHA.))-
Systematic Name English
(1AS,5AR,6S,6AS)-3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYLCYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE
Systematic Name English
Code System Code Type Description
FDA UNII
69HA64EN5M
Created by admin on Wed Apr 02 13:10:08 GMT 2025 , Edited by admin on Wed Apr 02 13:10:08 GMT 2025
PRIMARY
CAS
121843-89-8
Created by admin on Wed Apr 02 13:10:08 GMT 2025 , Edited by admin on Wed Apr 02 13:10:08 GMT 2025
PRIMARY
PUBCHEM
147688
Created by admin on Wed Apr 02 13:10:08 GMT 2025 , Edited by admin on Wed Apr 02 13:10:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID00923982
Created by admin on Wed Apr 02 13:10:08 GMT 2025 , Edited by admin on Wed Apr 02 13:10:08 GMT 2025
PRIMARY