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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one , (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
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| Smiles: |
C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C
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| InChi : |
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
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| InChi Key : |
InChIKey=PXOYOCNNSUAQNS-AGNJHWRGSA-N
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| PubChem ID : |
72724
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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 : |
9.620237
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.669
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| XLogP : |
3.443
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VDW volume : |
240.597929
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| Molecular weight : |
232.14633
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HOMO-LUMO gap : |
9.505000
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| Herb list : |
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| Refrences & Litretures: |
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