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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
methyl 7-ethyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate , 7-ethyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
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| Smiles: |
COC(=O)[C@@]1(C)CCC[C@]2([C@@H]1CCC1=C2CC[C@](C1)(C)CC)C
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| InChi : |
InChI=1S/C21H34O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h17H,6-14H2,1-5H3/t17-,19-,20+,21-/m0/s1
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| InChi Key : |
InChIKey=LZUSHGHGVLPXFI-WJMWBRGCSA-N
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| PubChem ID : |
288361
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| Rotatable bond count : |
3
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
8.792418
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.118
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| XLogP : |
6.456
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VDW volume : |
347.010296
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| Molecular weight : |
318.25588
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HOMO-LUMO gap : |
10.131000
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| Herb list : |
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| Refrences & Litretures: |
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