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Ilicicolin A, 2ac derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

Ilicicolin A, 2ac derivative
SpectraBase Compound ID 7DgkdOfurvK
InChI InChI=1S/C27H35ClO5/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-23-26(32-21(6)30)24(16-29)20(5)25(28)27(23)33-22(7)31/h10,12,14,16H,8-9,11,13,15H2,1-7H3/b18-12+,19-14+
InChIKey XSRJVCDDLGAUAZ-IJNKXORISA-N
Mol Weight 475.0 g/mol
Molecular Formula C27H35ClO5
Exact Mass 474.217302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQ8a22FwecU
Name Ilicicolin A, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 474.217301922 u
Formula C27H35ClO5
InChI InChI=1S/C27H35ClO5/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-23-26(32-21(6)30)24(16-29)20(5)25(28)27(23)33-22(7)31/h10,12,14,16H,8-9,11,13,15H2,1-7H3/b18-12+,19-14+
InChIKey XSRJVCDDLGAUAZ-IJNKXORISA-N
Molecular Weight 475.025 g/mol
SMILES CC(=O)OC=1C(=C(C(Cl)=C(C)C1C=O)OC(C)=O)C\C=C/(C)CC\C=C/(C)CCC=C(C)C