General Information of the Compound
| Compound ID |
CP0187961
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| Compound Name |
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7R,7aR)-1-[(2R)-4-hydroxybutan-2-yl]-7-(7-hydroxy-7-methyloctyl)-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 |
C32H54O4
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| Molecular Weight |
502.78
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| Canonical SMILES |
C[C@H](CCO)[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/C32H54O4/c1-22(17-19-33)28-15-16-29-24(11-12-25-20-27(34)21-30(35)23(25)2)13-14-26(32(28,29)5)10-8-6-7-9-18-31(3,4)36/h11-12,22,26-30,33-36H,2,6-10,13-21H2,1,3-5H3/b24-11+,25-12-/t22-,26-,27-,28-,29+,30+,32-/m1/s1
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| InChIKey |
HEDBLQZXKTYBFO-ZQLFESLCSA-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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