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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.-HEPTALACTONE, (S)-

SMILES

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

InChI

InChIKey=JFVQYQDTHWLYHG-LURJTMIESA-N
InChI=1S/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:33:23 GMT 2025
Edited
by admin
on Tue Apr 01 18:33:23 GMT 2025
Record UNII
63PZM2040P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-HEPTAN-5-OLIDE
Preferred Name English
.DELTA.-HEPTALACTONE, (S)-
Common Name English
2H-PYRAN-2-ONE, 6-ETHYLTETRAHYDRO-, (6S)-
Systematic Name English
(S)-.DELTA.-HEPTALACTONE
Systematic Name English
.DELTA.-HEPTALACTONE, (-)-
Systematic Name English
Code System Code Type Description
FDA UNII
63PZM2040P
Created by admin on Tue Apr 01 18:33:23 GMT 2025 , Edited by admin on Tue Apr 01 18:33:23 GMT 2025
PRIMARY
CAS
108943-44-8
Created by admin on Tue Apr 01 18:33:23 GMT 2025 , Edited by admin on Tue Apr 01 18:33:23 GMT 2025
PRIMARY
PUBCHEM
12242461
Created by admin on Tue Apr 01 18:33:23 GMT 2025 , Edited by admin on Tue Apr 01 18:33:23 GMT 2025
PRIMARY