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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one , (3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
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| Smiles: |
C=C1CCC[C@]2([C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1C)C
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| InChi : |
InChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3/t10-,11+,12-,13+,15+/m0/s1
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| InChi Key : |
InChIKey=YYJRTJYCOMIDIC-GGAZOKNXSA-N
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| PubChem ID : |
6451323
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.786066
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.646
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| XLogP : |
3.863
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VDW volume : |
243.234388
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| Molecular weight : |
234.16198
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HOMO-LUMO gap : |
10.915000
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| Herb list : |
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| Refrences & Litretures: |
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