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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 MERULIDIAL

SMILES

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

InChI

InChIKey=NFLNZGQBGCPDMT-WCUVEOEZSA-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 Tue Apr 01 19:40:32 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:32 GMT 2025
Record UNII
08Y2276EUV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MERULIDIAL
Common Name English
(-)-MERULIDIAL
Preferred Name English
MERULIDIAL, (-)-
Common Name English
CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYL-, (1AR-(1A.ALPHA.,5A.BETA.,6.BETA.,6A.ALPHA.))-
Systematic Name English
CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYL-, (1AR,5AR,6S,6AR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
115072
Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025
PRIMARY
CAS
68053-32-7
Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025
PRIMARY
FDA UNII
08Y2276EUV
Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID801034325
Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY