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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Deisopropylngaione, (-)-

SMILES

CC(=O)C[C@@]1(C)CC[C@H](O1)C2=COC=C2

InChI

InChIKey=YKWSUSNJLLZKDK-NWDGAFQWSA-N
InChI=1S/C12H16O3/c1-9(13)7-12(2)5-3-11(15-12)10-4-6-14-8-10/h4,6,8,11H,3,5,7H2,1-2H3/t11-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H16O3
Molecular Weight 208.2536
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:30:59 GMT 2025
Edited
by admin
on Mon Mar 31 22:30:59 GMT 2025
Record UNII
EC44493MRR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Deisopropylngaione, (-)-
Common Name English
(-)-Deisopropylngaione
Preferred Name English
2-Propanone, 1-(2,3,4,5-tetrahydro-5-methyl[2,3?-bifuran]-5-yl)-, (2S-cis)-
Systematic Name English
Deisopropylngaione
Common Name English
Code System Code Type Description
PUBCHEM
162446
Created by admin on Mon Mar 31 22:30:59 GMT 2025 , Edited by admin on Mon Mar 31 22:30:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID50194029
Created by admin on Mon Mar 31 22:30:59 GMT 2025 , Edited by admin on Mon Mar 31 22:30:59 GMT 2025
PRIMARY
FDA UNII
EC44493MRR
Created by admin on Mon Mar 31 22:30:59 GMT 2025 , Edited by admin on Mon Mar 31 22:30:59 GMT 2025
PRIMARY
CAS
41059-85-2
Created by admin on Mon Mar 31 22:30:59 GMT 2025 , Edited by admin on Mon Mar 31 22:30:59 GMT 2025
PRIMARY