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Securiterpenoside, 5tms derivative
SpectraBase Compound ID 7RJPpHMbOIV
InChI InChI=1S/C26H58O8Si5/c1-20(25(27)34-39(14,15)16)17-18-28-26-24(33-38(11,12)13)23(32-37(8,9)10)22(31-36(5,6)7)21(30-26)19-29-35(2,3)4/h21-24,26H,1,17-19H2,2-16H3/t21-,22-,23+,24-,26-/m1/s1
InChIKey HJHJKUBERSPLGK-HROMDODWSA-N
Mol Weight 639.2 g/mol
Molecular Formula C26H58O8Si5
Exact Mass 638.297801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1P10jI7Iaxa
Name Securiterpenoside, 5tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 638.297801495 u
Formula C26H58O8Si5
InChI InChI=1S/C26H58O8Si5/c1-20(25(27)34-39(14,15)16)17-18-28-26-24(33-38(11,12)13)23(32-37(8,9)10)22(31-36(5,6)7)21(30-26)19-29-35(2,3)4/h21-24,26H,1,17-19H2,2-16H3/t21-,22-,23+,24-,26-/m1/s1
InChIKey HJHJKUBERSPLGK-HROMDODWSA-N
Molecular Weight 639.167 g/mol
SMILES C(C(CCO[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])=C)(=O)O[Si](C)(C)C