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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione , 3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-quinone
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| Smiles: |
C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H]([C@@H]1[C@H]2C(=CC1=O)C)C
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| InChi : |
InChI=1S/C15H20O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6-7,9-10,12-14H,4-5H2,1-3H3/t7-,9-,10+,12-,13+,14-/m0/s1
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| InChi Key : |
InChIKey=FJKWKEZAHVWIOR-SFUBZWKVSA-N
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| PubChem ID : |
5315718
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.697344
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
7.587
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| XLogP : |
1.835
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VDW volume : |
249.388156
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| Molecular weight : |
248.141245
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HOMO-LUMO gap : |
9.717000
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| Herb list : |
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| Refrences & Litretures: |
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