General Information of the Compound
| Compound ID |
CP0106177
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| Compound Name |
(1R,3R)-5-[(Z,7S)-11-hydroxy-5,5,7,11-tetramethyldodec-2-enylidene]-2-methylidenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C23H40O3
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| Molecular Weight |
364.57
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| Canonical SMILES |
C[C@@H](CCCC(C)(C)O)CC(C)(C)C\C=C/C=C1C[C@@H](O)C(=C)[C@H](O)C1
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| InChI |
InChI=1S/C23H40O3/c1-17(10-9-13-23(5,6)26)16-22(3,4)12-8-7-11-19-14-20(24)18(2)21(25)15-19/h7-8,11,17,20-21,24-26H,2,9-10,12-16H2,1,3-6H3/b8-7-/t17-,20+,21+/m0/s1
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| InChIKey |
KMAHDCOQZGMIDT-RZONBPTLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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