7alpha,8alpha-dihydroxycalonectrin
-
Formula: C19H26O8
-
Molecular weight: 382.40
-
Smiles: CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C
7alpha,8alpha-dihydroxycalonectrin
Names
-
Mycotoxin name: 7alpha,8alpha-dihydroxycalonectrin
-
First synonym: 7alpha,8alpha-dihydroxycalonectrin
-
Synonyms: 7alpha,8alpha-Dihydroxycalonectrin,Q42403325,7,8-Dihydroxy calonectrin,7a,8a-Dihydroxycalonectrin,CHEBI:169114,(10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Identifiers / External links
-
PubChem CID: 557474
-
ChemSpiderID: 484624
-
Wikidata (wiki): Q42403325
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:169114
Structure
-
Smiles: CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C
-
Isomeric smiles: CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C
-
Inchi: InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3
-
Inchikey: JSKXQQKSUOVSKS-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C19H26O8
-
Molecular weight: 382.40
-
Monoisotopic mass: 382.16276778
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 530 Fusarium culmorum