Ent-kaurene
-
Formula: C20H32
-
Molecular weight: 272.50
-
Smiles: CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C
Ent-kaurene
Names
-
Mycotoxin name: Ent-kaurene
-
First synonym: Ent-kaurene
-
Synonyms: ent-Kaurene,ent-Kaur-16-ene,562-28-7,(5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-ene,(4aR,6aS,9R,11aR,11bR)-4,4,11b-trimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene,(-)-Kaur-16-ene,CHEBI:15415,DTXSID20873117,LMPR0104130002,Q27089428
Identifiers / External links
-
CAS: 562-28-7
-
PubChem CID: 11966109
-
ChemSpiderID: 389741
-
Wikidata (wiki): Q27089428
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:15415
-
CompTox Chemicals Dashboard (DTXSID): DTXSID20873117
Structure
-
Smiles: CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C
-
Isomeric smiles: C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C
-
Inchi: InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20-/m1/s1
-
Inchikey: ONVABDHFQKWOSV-HPUSYDDDSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C20H32
-
Molecular weight: 272.50
-
Monoisotopic mass: 272.250401021
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 587 Gibberella fujikuroi