General Information of the Compound
| Compound ID |
CP0247674
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| Compound Name |
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7R,7aR)-7-(7-hydroxy-7-methyloctyl)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C31H52O4
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| Molecular Weight |
488.753
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| Canonical SMILES |
C[C@H](CO)[C@H]1CC[C@H]2\C(CC[C@@H](CCCCCCC(C)(C)O)[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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| InChI |
InChI=1S/C31H52O4/c1-21(20-32)27-15-16-28-23(11-12-24-18-26(33)19-29(34)22(24)2)13-14-25(31(27,28)5)10-8-6-7-9-17-30(3,4)35/h11-12,21,25-29,32-35H,2,6-10,13-20H2,1,3-5H3/b23-11+,24-12-/t21-,25-,26-,27-,28+,29+,31-/m1/s1
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| InChIKey |
YULALMDAUCPVGX-RMKZUAJGSA-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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