|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(6aR,9S,9bR)-9-methyl-3,6-dimethylene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione , (6aR,9S,9bR)-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione , (6aR,9S,9bR)-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione , (6aR,9S,9bR)-9-methyl-3,6-dimethylene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-quinone
|
| Smiles: |
C[C@@H]1C(=O)C[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
|
| InChi : |
InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h9-11,13-14H,1-2,4-6H2,3H3/t9-,10+,11+,13+,14+/m1/s1
|
| InChi Key : |
InChIKey=PVRPBMBRMSXIHM-BDWDCIJZSA-N
|
| PubChem ID : |
101238032
|
|
|
|
| Rotatable bond count : |
0
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
3
|
Ionization potential : |
10.032572
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
6.083
|
| XLogP : |
1.296
|
VDW volume : |
246.751697
|
| Molecular weight : |
246.125594
|
HOMO-LUMO gap : |
9.651000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|