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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one , (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one , (3aS,5aR,6R,9bS)-5a,9-dimethyl-3-methylidene-6-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([C@@H](CC1)O)C
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| InChi : |
InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s1
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| InChi Key : |
InChIKey=STUGAIDUQVESQE-WJNVRWDZSA-N
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| PubChem ID : |
636954
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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 : |
9.286358
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
4.055
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| XLogP : |
0.861
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VDW volume : |
249.388156
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| Molecular weight : |
248.141245
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HOMO-LUMO gap : |
9.169000
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| Herb list : |
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| Refrences & Litretures: |
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