|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
[(1R,3R,5S,6R)-3-[(2S)-3-hydroxy-2-phenyl-propanoyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid [(1R,3R,5S,6R)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] ester , [(1R,3R,5S,6R)-3-[(2S)-3-hydroxy-2-phenylpropanoyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate , [(1R,3R,5S,6R)-8-methyl-3-[(2S)-3-oxidanyl-2-phenyl-propanoyl]oxy-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate , (E)-2-methylbut-2-enoic acid [(1R,3R,5S,6R)-3-[(2S)-3-hydroxy-2-phenyl-propanoyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] ester
|
| Smiles: |
C/C=C(/C(=O)O[C@@H]1C[C@@H]2N([C@H]1C[C@@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C)\C
|
| InChi : |
InChI=1S/C22H29NO5/c1-4-14(2)21(25)28-20-11-16-10-17(12-19(20)23(16)3)27-22(26)18(13-24)15-8-6-5-7-9-15/h4-9,16-20,24H,10-13H2,1-3H3/b14-4+/t16-,17-,18-,19+,20-/m1/s1
|
| InChi Key : |
InChIKey=OPGJHCLCUNWOSH-ONWGYBJOSA-N
|
| PubChem ID : |
91750095
|
|
|
|
| Rotatable bond count : |
8
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
6
|
Ionization potential : |
9.041997
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
6.412
|
| XLogP : |
2.339
|
VDW volume : |
380.227886
|
| Molecular weight : |
387.204573
|
HOMO-LUMO gap : |
9.057000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|