2-(2',3-epoxy-1'-heptenyl)-6-hydroxy-5-(3''-methyl-2''-butenyl)benzaldehyde
-
Formula: C19H24O3
-
Molecular weight: 300.40
-
Smiles: CCCCCC1=CC2=C(O1)C=C(C(=C2C=O)O)CC=C(C)C
2-(2',3-epoxy-1'-heptenyl)-6-hydroxy-5-(3''-methyl-2''-butenyl)benzaldehyde
Names
-
Mycotoxin name: 2-(2',3-epoxy-1'-heptenyl)-6-hydroxy-5-(3''-methyl-2''-butenyl)benzaldehyde
-
First synonym: 2-pentyl-5-hydroxy-6-prenylbenzofuran-4-carbaldehyde
-
Synonyms: 2-Pentyl-5-hydroxy-6-prenylbenzofuran-4-carbaldehyde,2-(2',3-epoxy-1'-heptenyl)-6-hydroxy-5-(3''-methyl-2''-butenyl)benzaldehyde
Identifiers / External links
-
CAS: 1092808-14-4
-
PubChem CID: 25111452
-
ChemSpiderID: 78435599
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:201254
Structure
-
Smiles: CCCCCC1=CC2=C(O1)C=C(C(=C2C=O)O)CC=C(C)C
-
Isomeric smiles: CCCCCC1=CC2=C(O1)C=C(C(=C2C=O)O)CC=C(C)C
-
Inchi: InChI=1S/C19H24O3/c1-4-5-6-7-15-11-16-17(12-20)19(21)14(9-8-13(2)3)10-18(16)22-15/h8,10-12,21H,4-7,9H2,1-3H3
-
Inchikey: RYJGNNLHJOBOTP-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C19H24O3
-
Molecular weight: 300.40
-
Monoisotopic mass: 300.17254462
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 516 Eurotium rubrum