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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(5S,8R,9S,10S,13S,14S)-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one , (5S,8R,9S,10S,13S,14S)-3-ethyl-10,13-dimethyl-3-oxidanyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
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| Smiles: |
CC[C@@]1(O)CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
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| InChi : |
InChI=1S/C21H34O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h14-17,23H,4-13H2,1-3H3/t14-,15-,16-,17-,19-,20-,21+/m0/s1
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| InChi Key : |
InChIKey=SPKGPDRGORWGNP-MUCQQEEJSA-N
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| PubChem ID : |
14681481
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.691350
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.875
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| XLogP : |
5.075
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VDW volume : |
337.290296
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| Molecular weight : |
318.25588
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HOMO-LUMO gap : |
10.706000
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| Herb list : |
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| Refrences & Litretures: |
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