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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(5aS,6S,9R,9aR)-1,6-dihydroxy-9-isopropenyl-6-methyl-3-pentyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-carboxylic acid , (5aS,6S,9R,9aR)-1,6-dihydroxy-6-methyl-9-(1-methylethenyl)-3-pentyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-carboxylic acid , (5aS,6S,9R,9aR)-1,6-dihydroxy-6-methyl-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-carboxylic acid , (5aS,6S,9R,9aR)-6-methyl-1,6-bis(oxidanyl)-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-carboxylic acid , (5aS,6S,9R,9aR)-3-amyl-1,6-dihydroxy-9-isopropenyl-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-carboxylic acid
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| Smiles: |
CCCCCc1cc(O)c2c(c1C(=O)O)O[C@H]1[C@@H]2[C@@H](CC[C@]1(C)O)C(=C)C
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| InChi : |
InChI=1S/C22H30O5/c1-5-6-7-8-13-11-15(23)18-17-14(12(2)3)9-10-22(4,26)20(17)27-19(18)16(13)21(24)25/h11,14,17,20,23,26H,2,5-10H2,1,3-4H3,(H,24,25)/t14-,17+,20-,22-/m0/s1
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| InChi Key : |
InChIKey=HJMCQDCJBFTRPX-RSGMMRJUSA-N
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| PubChem ID : |
59444401
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| Rotatable bond count : |
6
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
9.194192
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
1.456
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| XLogP : |
4.157
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VDW volume : |
371.867584
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| Molecular weight : |
374.209324
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HOMO-LUMO gap : |
8.923000
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| Herb list : |
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| Refrences & Litretures: |
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