3'-n-acetyl-4'-o-(14-methylpentadecanoyl)fusarochromanone
-
Formula: C33H52N2O6
-
Molecular weight: 572.80
-
Smiles: CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
3'-n-acetyl-4'-o-(14-methylpentadecanoyl)fusarochromanone
Names
-
Mycotoxin name: 3'-n-acetyl-4'-o-(14-methylpentadecanoyl)fusarochromanone
-
First synonym: 3'-n-acetyl-4'-o-(14-methylpentadecanoyl)fusarochromanone
-
Synonyms: 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone,CHEBI:176119,3'N-Acetyl-4'O-(14-methylpentadecanoyl)fusarochromanone,[2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] 14-methylpentadecanoate
Identifiers / External links
-
CAS: 136762-45-3
-
PubChem CID: 101420967
-
ChemSpiderID: 35014602
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:176119
-
CompTox Chemicals Dashboard (DTXSID): DTXSID001103005
Structure
-
Smiles: CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
-
Isomeric smiles: CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
-
Inchi: InChI=1S/C33H52N2O6/c1-23(2)16-14-12-10-8-6-7-9-11-13-15-17-30(39)40-22-25(35-24(3)36)20-27(37)26-18-19-29-31(32(26)34)28(38)21-33(4,5)41-29/h18-19,23,25H,6-17,20-22,34H2,1-5H3,(H,35,36)
-
Inchikey: PTECXARPZZIJIP-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C33H52N2O6
-
Molecular weight: 572.80
-
Monoisotopic mass: 572.38253738
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 533 Fusarium equiseti