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

Details

Stereochemistry RACEMIC
Molecular Formula C15H20O2
Molecular Weight 232.3181
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FURANOEREMOPHILONE, (±)-

SMILES

C[C@H]1CCC[C@@H]2C(=O)C3=C(C[C@]12C)C(C)=CO3

InChI

InChIKey=KLLSQGNSOCVVAN-JVLSTEMRSA-N
InChI=1S/C15H20O2/c1-9-8-17-14-11(9)7-15(3)10(2)5-4-6-12(15)13(14)16/h8,10,12H,4-7H2,1-3H3/t10-,12+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20O2
Molecular Weight 232.3181
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:12:15 GMT 2025
Edited
by admin
on Wed Apr 02 10:12:15 GMT 2025
Record UNII
WC2TJW7CCD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-FURANOEREMOPHILONE
Preferred Name English
FURANOEREMOPHILONE, (±)-
Common Name English
NAPHTHO(2,3-B)FURAN-9(4H)-ONE, 4A,5,6,7,8,8A-HEXAHYDRO-3,4A,5-TRIMETHYL-, (4A.ALPHA.,5.ALPHA.,8A.ALPHA.)-(±)-
Systematic Name English
NAPHTHO(2,3-B)FURAN-9(4H)-ONE, 4A,5,6,7,8,8A-HEXAHYDRO-3,4A,5-TRIMETHYL-, (4AR,5S,8AS)-REL-(
Systematic Name English
REL-(4AR,5S,8AS)-4A,5,6,7,8,8A-HEXAHYDRO-3,4A,5-TRIMETHYLNAPHTHO(2,3-B)FURAN-9(4H)-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
WC2TJW7CCD
Created by admin on Wed Apr 02 10:12:15 GMT 2025 , Edited by admin on Wed Apr 02 10:12:15 GMT 2025
PRIMARY
CAS
69427-68-5
Created by admin on Wed Apr 02 10:12:15 GMT 2025 , Edited by admin on Wed Apr 02 10:12:15 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE