General Information of the Compound
| Compound ID |
CP0131137
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| Compound Name |
(1S,2S,4S,5R,6S,7S,9R,13R,17S)-4,5-dihydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
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| Structure |
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| Formula |
C21H28O7
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| Molecular Weight |
392.448
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| Canonical SMILES |
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)[C@@H](O)[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
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| InChI |
InChI=1S/C21H28O7/c1-8-10-6-12-20(3)11(7-13(22)28-12)9(2)17(27-5)16(25)18(20)21(10,4)19(26)15(24)14(8)23/h8,10-12,14-15,18,23-24H,6-7H2,1-5H3/t8-,10-,11-,12+,14+,15-,18-,20+,21-/m0/s1
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| InChIKey |
CWVPFDLFQUVWQC-ZUEPXWORSA-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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