General Information of the Compound
| Compound ID |
CP0256628
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| Compound Name |
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7R,7aR)-7-(7-hydroxy-7-methyloctyl)-1-[(2R)-5-hydroxypentan-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 |
C33H56O4
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| Molecular Weight |
516.807
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| Canonical SMILES |
C[C@H](CCCO)[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/C33H56O4/c1-23(11-10-20-34)29-17-18-30-25(13-14-26-21-28(35)22-31(36)24(26)2)15-16-27(33(29,30)5)12-8-6-7-9-19-32(3,4)37/h13-14,23,27-31,34-37H,2,6-12,15-22H2,1,3-5H3/b25-13+,26-14-/t23-,27-,28-,29-,30+,31+,33-/m1/s1
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| InChIKey |
NLWIVAAZFVPLQJ-URVOFDENSA-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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