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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
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| Smiles: |
CCC(=C)C(CC[C@H]([C@H]1CC[C@]2([C@]1(C)CC[C@]13[C@@H]2CC[C@H]2[C@@]3(C1)CC[C@H](C2(C)C)OC(=O)C)C)C)(C)C
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| InChi : |
InChI=1S/C35H58O2/c1-11-24(3)30(5,6)17-14-23(2)26-15-18-33(10)28-13-12-27-31(7,8)29(37-25(4)36)16-19-34(27)22-35(28,34)21-20-32(26,33)9/h23,26-29H,3,11-22H2,1-2,4-10H3/t23-,26-,27-,28-,29-,32-,33-,34+,35-/m1/s1
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| InChi Key : |
InChIKey=UTMCOYCVYHNHLU-WVAJSPDTSA-N
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| PubChem ID : |
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| Rotatable bond count : |
8
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.690113
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.777
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| XLogP : |
14.086
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VDW volume : |
564.441163
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| Molecular weight : |
510.443681
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HOMO-LUMO gap : |
10.958000
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| Herb list : |
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| Refrences & Litretures: |
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