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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18O2
Molecular Weight 194.2701
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEDANOLIDE, (3S,3AS)-

SMILES

CCCC[C@@H]1OC(=O)C2=CCCC[C@H]12

InChI

InChIKey=UPJFTVFLSIQQAV-ONGXEEELSA-N
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H18O2
Molecular Weight 194.2701
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 Tue Apr 01 19:50:59 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:59 GMT 2025
Record UNII
XYA2BTI22X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-CIS-NEOCNIDILIDE
Preferred Name English
SEDANOLIDE, (3S,3AS)-
Common Name English
(3S,3AS)-(-)-SEDANOLIDE
Systematic Name English
1(3H)-ISOBENZOFURANONE, 3-BUTYL-3A,4,5,6-TETRAHYDRO-, (3S,3AS)-
Systematic Name English
CIS-NEOCNIDILIDE
Common Name English
ISOCNIDILIDE
Systematic Name English
SEDANOLIDE, CIS-(-)-
Common Name English
SEDANOLIDE, (3S,3AS)-(-)-
Common Name English
1(3H)-ISOBENZOFURANONE, 3-BUTYL-3A,4,5,6-TETRAHYDRO-, (3S-TRANS)-
Systematic Name English
(3S,3AS)-3-BUTYL-3A,4,5,6-TETRAHYDRO-1(3H)-ISOBENZOFURANONE
Common Name English
Code System Code Type Description
PUBCHEM
12315453
Created by admin on Tue Apr 01 19:50:59 GMT 2025 , Edited by admin on Tue Apr 01 19:50:59 GMT 2025
PRIMARY
FDA UNII
XYA2BTI22X
Created by admin on Tue Apr 01 19:50:59 GMT 2025 , Edited by admin on Tue Apr 01 19:50:59 GMT 2025
PRIMARY
CAS
124815-25-4
Created by admin on Tue Apr 01 19:50:59 GMT 2025 , Edited by admin on Tue Apr 01 19:50:59 GMT 2025
PRIMARY