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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate , 2-(4-hydroxyphenyl)acetic acid [(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl ester , [(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate , [(3aR,4S,9aS,9bR)-6-methyl-3-methylidene-4-oxidanyl-2,7-bis(oxidanylidene)-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)ethanoate , 2-(4-hydroxyphenyl)acetic acid [(3aR,4S,9aS,9bR)-4-hydroxy-2,7-diketo-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl ester
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| Smiles: |
O=C(Cc1ccc(cc1)O)OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O
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| InChi : |
InChI=1S/C23H22O7/c1-11-7-16(25)20-12(2)23(28)30-22(20)21-14(9-17(26)19(11)21)10-29-18(27)8-13-3-5-15(24)6-4-13/h3-6,9,16,20-22,24-25H,2,7-8,10H2,1H3/t16-,20+,21-,22-/m0/s1
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| InChi Key : |
InChIKey=QCDLLIUTDGNCPO-AEMJNJESSA-N
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| PubChem ID : |
174863
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
7
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Ionization potential : |
9.075767
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
6.274
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| XLogP : |
-0.603
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VDW volume : |
383.841729
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| Molecular weight : |
410.136553
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HOMO-LUMO gap : |
8.338000
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| Herb list : |
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| Refrences & Litretures: |
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