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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(3aR)-9-formyl-6-methyl-3-methylene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate , 2-(4-hydroxyphenyl)acetic acid [(3aR)-9-formyl-6-methyl-3-methylene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] ester , [(3aR)-9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate , [(3aR)-9-methanoyl-6-methyl-3-methylidene-2,7-bis(oxidanylidene)-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)ethanoate , 2-(4-hydroxyphenyl)acetic acid [(3aR)-9-formyl-2,7-diketo-6-methyl-3-methylene-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] ester
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| Smiles: |
O=C[C@H]1CC(=O)C2=C(C)C[C@H]([C@@H]3[C@H]([C@H]12)OC(=O)C3=C)OC(=O)Cc1ccc(cc1)O
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| InChi : |
InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,10,14,17,20-22,25H,2,7-9H2,1H3/t14-,17-,20-,21-,22-/m1/s1
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| InChi Key : |
InChIKey=VJUBMORWJMSGDS-AAMFELJASA-N
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| PubChem ID : |
5316703
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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 : |
9.102396
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
6.175
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| XLogP : |
0.09
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VDW volume : |
383.841729
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| Molecular weight : |
410.136553
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HOMO-LUMO gap : |
8.495000
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| Herb list : |
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| Refrences & Litretures: |
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