Variecolactone
-
Formula: C25H36O3
-
Molecular weight: 384.60
-
Smiles: CC1CC2(C3C1CC4(CCC5(CCC(C5C4CC=C3C(=O)O2)C(=C)C)C)C)O
Variecolactone
Names
-
Mycotoxin name: Variecolactone
-
First synonym: Variecolactone
-
Synonyms: Variecolactone,216445-01-1
Identifiers / External links
-
CAS: 216445-01-1
-
PubChem CID: 10068616
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:219320
-
CompTox Chemicals Dashboard (DTXSID): DTXSID401336052
Structure
-
Smiles: CC1CC2(C3C1CC4(CCC5(CCC(C5C4CC=C3C(=O)O2)C(=C)C)C)C)O
-
Isomeric smiles: C[C@H]1C[C@@]2([C@@H]/3[C@H]1C[C@]4(CC[C@@]5(CC[C@@H]([C@H]5[C@@H]4C/C=C3/C(=O)O2)C(=C)C)C)C)O
-
Inchi: InChI=1S/C25H36O3/c1-14(2)16-8-9-23(4)10-11-24(5)13-18-15(3)12-25(27)20(18)17(22(26)28-25)6-7-19(24)21(16)23/h6,15-16,18-21,27H,1,7-13H2,2-5H3/b17-6+/t15-,16+,18-,19-,20-,21-,23-,24+,25+/m0/s1
-
Inchikey: FHJWMBGJDFBYNQ-SSPKKXFYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C25H36O3
-
Molecular weight: 384.60
-
Monoisotopic mass: 384.26644501
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 469 Emericella purpurea