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Amorfrutin B, 2tms derivative
SpectraBase Compound ID 12BdISIE9uF
InChI InChI=1S/C32H48O4Si2/c1-24(2)15-14-16-25(3)19-22-28-29(34-4)23-27(21-20-26-17-12-11-13-18-26)30(31(28)35-37(5,6)7)32(33)36-38(8,9)10/h11-13,15,17-19,23H,14,16,20-22H2,1-10H3/b25-19+
InChIKey WBIQACFEFJWACP-NCELDCMTSA-N
Mol Weight 552.9 g/mol
Molecular Formula C32H48O4Si2
Exact Mass 552.309113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hDFZgWLQIZ
Name Amorfrutin B, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 552.309113092 u
Formula C32H48O4Si2
InChI InChI=1S/C32H48O4Si2/c1-24(2)15-14-16-25(3)19-22-28-29(34-4)23-27(21-20-26-17-12-11-13-18-26)30(31(28)35-37(5,6)7)32(33)36-38(8,9)10/h11-13,15,17-19,23H,14,16,20-22H2,1-10H3/b25-19+
InChIKey WBIQACFEFJWACP-NCELDCMTSA-N
Molecular Weight 552.902 g/mol
SMILES C(C1=C(C(=C(C=C1CCC1=CC=CC=C1)OC)C\C=C\(CCC=C(C)C)C)O[Si](C)(C)C)(=O)O[Si](C)(C)C