jasmolin II
Identification (Source:EPA,EU)
ID |
1336 |
Name |
jasmolin II |
CAS |
1172-63-0 |
IUPAC |
|
Inchi |
InChI=1S/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1 |
CIPAC |
|
EPA Code |
|
Formula |
C22H30O5 |
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(=O)OC([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 |
374.4706 |
Physical State |
|
AlogP |
4.271 |
H-Bond Donor |
0 |
H-Bond Acceptor |
5 |
Surface Area |
396.16 |
Polar Surface Area |
69.67 |
Structure
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