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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,6aR,9S,9bS)-3,9-dimethyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione , (3S,6aR,9S,9bS)-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione , (3S,6aR,9S,9bS)-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione , (3S,6aR,9S,9bS)-3,9-dimethyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-quinone
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| Smiles: |
C[C@@H]1C(=O)C[C@@H]2[C@H]1[C@H]1OC(=O)[C@H]([C@H]1CCC2=C)C
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| InChi : |
InChI=1S/C15H20O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h8-11,13-14H,1,4-6H2,2-3H3/t8-,9+,10+,11-,13-,14-/m0/s1
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| InChi Key : |
InChIKey=QEFUTRKIARMBLC-UOCMFPBCSA-N
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| PubChem ID : |
101238033
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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 : |
10.005336
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
6.339
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| XLogP : |
1.478
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VDW volume : |
249.388156
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| Molecular weight : |
248.141245
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HOMO-LUMO gap : |
10.620000
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| Herb list : |
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| Refrences & Litretures: |
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