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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene , 17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene , 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
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| Smiles: |
CC[C@H](C(C)C)/C=C/[C@@H]([C@@H]1CC[C@@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@@]1(C)CCC=C2)C
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| InChi : |
InChI=1S/C29H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10-13,20-22,24-27H,7,9,14-19H2,1-6H3/b12-11+/t21-,22-,24+,25-,26-,27+,28+,29-/m0/s1
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| InChi Key : |
InChIKey=NGUVUCVJXSBIEN-LAGUIQMHSA-N
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| PubChem ID : |
5352324
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| Rotatable bond count : |
5
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.639801
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.709
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| XLogP : |
13.042
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VDW volume : |
452.804802
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| Molecular weight : |
394.359951
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HOMO-LUMO gap : |
9.198000
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| Herb list : |
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| Refrences & Litretures: |
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