jasmolin I
Identification (Source:EPA,EU)
ID |
1335 |
Name |
jasmolin I |
CAS |
4466-14-2 |
IUPAC |
|
Inchi |
InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1 |
CIPAC |
|
EPA Code |
|
Formula |
C21H30O3 |
SMILES |
O([C@]1([H])C(C([H])([H])[H])=C(C([H])([H])\C([H])=C([H])/C([H])([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 |
330.4611 |
Physical State |
|
AlogP |
4.902 |
H-Bond Donor |
0 |
H-Bond Acceptor |
3 |
Surface Area |
357.98 |
Polar Surface Area |
43.37 |
Structure
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