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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-1-hydroxy-4-methyl-pent-3-enyl] 3-acetoxy-3-methyl-butanoate , 3-acetyloxy-3-methylbutanoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-1-hydroxy-4-methylpent-3-enyl] ester , [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-1-hydroxy-4-methylpent-3-enyl] 3-acetyloxy-3-methylbutanoate , [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-1-hydroxy-4-methylpent-3-enyl] 3-acetyloxy-3-methylbutanoate , [(1S)-1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-1-oxidanyl-pent-3-enyl] 3-acetyloxy-3-methyl-butanoate , 3-acetoxy-3-methyl-butyric acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-1-hydroxy-4-methyl-pent-3-enyl] ester
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| Smiles: |
O=C(O[C@](C1=CC(=O)c2c(C1=O)c(O)ccc2O)(CC=C(C)C)O)CC(OC(=O)C)(C)C
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| InChi : |
InChI=1S/C23H26O9/c1-12(2)8-9-23(30,32-18(28)11-22(4,5)31-13(3)24)14-10-17(27)19-15(25)6-7-16(26)20(19)21(14)29/h6-8,10,25-26,30H,9,11H2,1-5H3/t23-/m0/s1
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| InChi Key : |
InChIKey=VKBWMCAMMZQOMW-QHCPKHFHSA-N
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| PubChem ID : |
102115081
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| Rotatable bond count : |
9
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
9.195601
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
1.327
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| XLogP : |
1.747
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VDW volume : |
426.1351
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| Molecular weight : |
446.157682
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HOMO-LUMO gap : |
7.140000
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| Herb list : |
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| Refrences & Litretures: |
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