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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,3aR,5S,8aR,9aR)-3,5,8a-trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one , (3S,3aR,5S,8aR,9aR)-3,5,8a-trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
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| Smiles: |
C[C@@H]1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)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/h7,9-11,13H,4-6,8H2,1-3H3/t9-,10-,11+,13+,15+/m0/s1
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| InChi Key : |
InChIKey=UHXFRFWUSTUALX-CTFUPSTPSA-N
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| PubChem ID : |
10633476
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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 : |
9.567081
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.567
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| XLogP : |
3.511
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VDW volume : |
243.234388
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| Molecular weight : |
234.16198
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HOMO-LUMO gap : |
10.469000
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| Herb list : |
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| Refrences & Litretures: |
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