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Antibiotic ll-Z1272.epsilon., 2tms derivative

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Antibiotic ll-Z1272.epsilon., 2tms derivative
SpectraBase Compound ID 5XZrw9trRD8
InChI InChI=1S/C29H48O4Si2/c1-20(16-17-29(5)22(3)13-15-26(31)23(29)4)12-14-24-27(32-34(6,7)8)18-21(2)25(19-30)28(24)33-35(9,10)11/h12,18-19,22-23H,13-17H2,1-11H3/b20-12+/t22-,23+,29+/m1/s1
InChIKey PBAZNVJGRVIZLP-JAHYBKPDSA-N
Mol Weight 516.9 g/mol
Molecular Formula C29H48O4Si2
Exact Mass 516.309113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LD3nVCyrZtQ
Name Antibiotic ll-Z1272.epsilon., 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 516.309113092 u
Formula C29H48O4Si2
InChI InChI=1S/C29H48O4Si2/c1-20(16-17-29(5)22(3)13-15-26(31)23(29)4)12-14-24-27(32-34(6,7)8)18-21(2)25(19-30)28(24)33-35(9,10)11/h12,18-19,22-23H,13-17H2,1-11H3/b20-12+/t22-,23+,29+/m1/s1
InChIKey PBAZNVJGRVIZLP-JAHYBKPDSA-N
Molecular Weight 516.869 g/mol
SMILES C(C1=C(C(=C(C=C1C)O[Si](C)(C)C)C\C=C\(CC[C@@]1([C@](C(CC[C@]1(C)[H])=O)(C)[H])C)C)O[Si](C)(C)C)=O