6,8-O-Dimethylversicolorin B
-
Formula: C20H16O7
-
Molecular weight: 368.30
-
Smiles: COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C4=C(C=C3C2=O)OC5C4CCO5)O
-
Type: Versicolorin
6,8-O-Dimethylversicolorin B
Names
-
Mycotoxin name: 6,8-O-Dimethylversicolorin B
-
First synonym: None
-
Synonyms: 6,8-O-Dimethylversicolorin B,NIOSH/CB1752000,62057-57-2,CB17520000,Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-6,8-dimethoxy-4-hydroxy-,DTXSID40211113,Anthra(2,3-b)furo(2,3-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4-hydroxy-6,8-dimethoxy-, cis-(-)-,cis-(-)-2,3,3a,12a-Tetrahydro-4-hydroxy-6,8-dimethoxyanthra(2,3-b)furo(2,3-d)furan-5,10-dione
Identifiers / External links
-
CAS: 62057-57-2
-
PubChem CID: 151746
-
ChemSpiderID: 133744
-
CompTox Chemicals Dashboard (DTXSID): DTXSID40211113
Structure
-
Smiles: COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C4=C(C=C3C2=O)OC5C4CCO5)O
-
Isomeric smiles: COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C4=C(C=C3C2=O)O[C@@H]5[C@H]4CCO5)O
-
Inchi: InChI=1S/C20H16O7/c1-24-8-5-10-15(12(6-8)25-2)19(23)16-11(17(10)21)7-13-14(18(16)22)9-3-4-26-20(9)27-13/h5-7,9,20,22H,3-4H2,1-2H3/t9-,20+/m0/s1
-
Inchikey: NZRQTYSAMANXPT-GWNMQOMSSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C20H16O7
-
Molecular weight: 368.30
-
Monoisotopic mass: 368.08960285
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