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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3aS,5aS,8S,9bS)-8-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one , (3aS,5aS,8S,9bS)-8-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one , (3aS,5aS,8S,9bS)-5a,9-dimethyl-3-methylidene-8-oxidanyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
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| Smiles: |
CC1=C2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]2(CC[C@@H]1O)C
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| InChi : |
InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h10-11,13,16H,1,4-7H2,2-3H3/t10-,11-,13-,15-/m0/s1
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| InChi Key : |
InChIKey=WLJQSNNKIQSGBT-UHXUCMFUSA-N
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| PubChem ID : |
11459313
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.461984
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
5.566
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| XLogP : |
1.338
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VDW volume : |
249.388156
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| Molecular weight : |
248.141245
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HOMO-LUMO gap : |
9.266000
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| Herb list : |
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| Refrences & Litretures: |
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