Isoquadrone
-
Formula: C15H20O3
-
Molecular weight: 248.32
-
Smiles: CC1(CC23C4CCC1C2CC(=O)C3(OC4=O)C)C
Isoquadrone
Names
-
Mycotoxin name: Isoquadrone
-
First synonym: Isoquadrone
-
Synonyms: Isoquadrone,81130-69-0,BRN 5280366,2H-5,7b-Ethanoindeno(1,7-bc)furan-2,7(7ah)-dione, hexahydro-7a,9,9-trimethyl-, (2aR-(2a-alpha,5-alpha,5a-beta,7a-alpha,7b-alpha)-,DTXSID901001802,7a,9,9-Trimethylhexahydro-2H-5,7b-ethanoindeno[1,7-bc]furan-2,7(7aH)-dione
Identifiers / External links
-
CAS: 81130-69-0
-
PubChem CID: 3067290
-
ChemSpiderID: 2327435
-
CompTox Chemicals Dashboard (DTXSID): DTXSID901001802
Structure
-
Smiles: CC1(CC23C4CCC1C2CC(=O)C3(OC4=O)C)C
-
Isomeric smiles: CC1(CC23C4CCC1C2CC(=O)C3(OC4=O)C)C
-
Inchi: 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
-
Inchikey: SEETYEZEEVLMJA-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C15H20O3
-
Molecular weight: 248.32
-
Monoisotopic mass: 248.1412445
Select an endpoint:
| Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Endpoint | Tool | Value | Unit | Comments | Reference |
|---|
Fungi
-
Fungi id Species 263 Aspergillus terreus