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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1,1,4a,7-tetramethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one , 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one
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| Smiles: |
C=C[C@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC(=O)C3(C)C)C1
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| InChi : |
InChI=1S/C20H30O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6-7,15-16H,1,8-13H2,2-5H3/t15-,16-,19+,20+/m0/s1
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| InChi Key : |
InChIKey=YAXFLCDQLAZOPS-XAMWDVODSA-N
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| PubChem ID : |
625348
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.272477
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.078
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| XLogP : |
5.696
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VDW volume : |
318.287626
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| Molecular weight : |
286.229666
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HOMO-LUMO gap : |
10.347000
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| Herb list : |
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| Refrences & Litretures: |
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