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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isoquadrone

SMILES

CC1(C)C[C@@]23[C@@H]4CC(=O)[C@]2(C)OC(=O)[C@@H]3CC[C@@H]14

InChI

InChIKey=SEETYEZEEVLMJA-WSOUCCKQSA-N
InChI=1S/C15H20O3/c1-13(2)7-15-9-5-4-8(13)10(15)6-11(16)14(15,3)18-12(9)17/h8-10H,4-7H2,1-3H3/t8-,9+,10-,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H20O3
Molecular Weight 248.3175
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:46:04 GMT 2025
Edited
by admin
on Mon Mar 31 22:46:04 GMT 2025
Record UNII
HUW6YP5QQL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isoquadrone
Common Name English
2H-5,7b-Ethanoindeno[1,7-bc]furan-2,7(7aH)-dione, hexahydro-7a,9,9-trimethyl-, (2aR,5R,5aR,7aR,7bS)-
Preferred Name English
2H-5,7b-Ethanoindeno[1,7-bc]furan-2,7(7aH)-dione, hexahydro-7a,9,9-trimethyl-, [2aR-(2a?,5?,5a?,7a?,7b?)]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901001802
Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025
PRIMARY
FDA UNII
HUW6YP5QQL
Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025
PRIMARY
CAS
81130-69-0
Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
3067290
Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025
PRIMARY