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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one , 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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| Smiles: |
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C
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| InChi : |
InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
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| InChi Key : |
InChIKey=XZTUSOXSLKTKJQ-CESUGQOBSA-N
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| PubChem ID : |
4369270
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
4
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Ionization potential : |
10.328528
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
5.993
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| XLogP : |
3.685
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VDW volume : |
374.469801
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| Molecular weight : |
374.24571
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HOMO-LUMO gap : |
9.977000
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| Herb list : |
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| Refrences & Litretures: |
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