General Information of the Compound
| Compound ID |
CP0078703
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| Compound Name |
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] formate
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| Structure |
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| Formula |
C19H22O3
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| Molecular Weight |
298.382
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC=O)ccc34)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C19H22O3/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10-11,15-17H,2,4,6-9H2,1H3/t15-,16-,17+,19+/m1/s1
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| InChIKey |
GOZPPZIYUYYOIF-VXNCWWDNSA-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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