|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(3aR,5R,6R,7aR)-5-isopropenyl-6-methyl-3-methylene-6-vinyl-4,5,7,7a-tetrahydro-3aH-benzofuran-2-one , (3aR,5R,6R,7aR)-6-ethenyl-6-methyl-3-methylene-5-(1-methylethenyl)-4,5,7,7a-tetrahydro-3aH-benzofuran-2-one , (3aR,5R,6R,7aR)-6-ethenyl-6-methyl-3-methylidene-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one
|
| Smiles: |
C=C[C@@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]1C(=C)C
|
| InChi : |
InChI=1S/C15H20O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,11-13H,1-2,4,7-8H2,3,5H3/t11-,12-,13-,15+/m1/s1
|
| InChi Key : |
InChIKey=IFASGTOWHLMHEZ-BHPKHCPMSA-N
|
| PubChem ID : |
14038398
|
|
|
|
| Rotatable bond count : |
2
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
2
|
Ionization potential : |
9.859404
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
4.533
|
| XLogP : |
3.562
|
VDW volume : |
250.317929
|
| Molecular weight : |
232.14633
|
HOMO-LUMO gap : |
9.657000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|