cinerin I
Identification (Source:EPA,EU)
ID |
1333 |
Name |
cinerin I |
CAS |
25402-06-6 |
IUPAC |
|
Inchi |
InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1 |
CIPAC |
|
EPA Code |
|
Formula |
C20H28O3 |
SMILES |
O([C@]1([H])C(C([H])([H])[H])=C(C([H])([H])\C([H])=C([H])/C([H])([H])[H])C(C1([H])[H])=O)C([C@]([H])([C@@]2([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C2(C([H])([H])[H])C([H])([H])[H])=O |
Status |
Not Available |
Classification
Properties (Source:PubChem)
Molecular Weight |
316.43452 |
Physical State |
|
AlogP |
4.445 |
H-Bond Donor |
0 |
H-Bond Acceptor |
3 |
Surface Area |
342.1 |
Polar Surface Area |
43.37 |
Structure
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