11,12,13-trinor-1(10)-spirovetivene-2,7-dione
-
Formula: C12H16O2
-
Molecular weight: 192.25
-
Smiles: CC1CC(=O)C=C(C12CCC(=O)C2)C
11,12,13-trinor-1(10)-spirovetivene-2,7-dione
Names
-
Mycotoxin name: 11,12,13-trinor-1(10)-spirovetivene-2,7-dione
-
First synonym: 6,10-dimethylspiro[4.5]dec-6-ene-2,8-dione
-
Synonyms: 6,10-Dimethylspiro[4.5]dec-6-ene-2,8-dione,11,12,13-Trinor-1(10)-spirovetivene-2,7-dione,6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione,CHEBI:179905,6,10-Dimethylspiro[4,5]dec-6-ene-2,8-dione,6,10-Dimethylspiro[4.5]dec-6-ene-2,8-dione #,84413-75-2
Identifiers / External links
-
CAS: 84413-75-2
-
PubChem CID: 591228
-
ChemSpiderID: 513962
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:179905
Structure
-
Smiles: CC1CC(=O)C=C(C12CCC(=O)C2)C
-
Isomeric smiles: CC1CC(=O)C=C(C12CCC(=O)C2)C
-
Inchi: InChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3
-
Inchikey: OGDKSKNHHSXJNA-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C12H16O2
-
Molecular weight: 192.25
-
Monoisotopic mass: 192.115029749
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 1023 Phoma exigua