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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,3aS,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione , (3S,3aS,9aS,9bS)-3,6-dimethyl-9-methylol-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-quinone
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| Smiles: |
OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C
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| InChi : |
InChI=1S/C15H18O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,8,10,13-14,16H,3-4,6H2,1-2H3/t8-,10-,13-,14-/m0/s1
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| InChi Key : |
InChIKey=SNIFBMIPCYBVSS-LMVZTGKYSA-N
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| PubChem ID : |
14163574
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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 : |
9.995356
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
5.715
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| XLogP : |
-0.117
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VDW volume : |
255.541924
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| Molecular weight : |
262.120509
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HOMO-LUMO gap : |
9.494000
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| Herb list : |
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| Refrences & Litretures: |
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