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Isobyakangelicin, 2'-o-angeloyl, tms

View entire compound with spectra: 1 NMR

Isobyakangelicin, 2'-o-angeloyl, tms
SpectraBase Compound ID J7DdDEk6FcY
InChI InChI=1S/C25H32O8Si/c1-9-15(2)24(27)31-18(25(3,4)33-34(6,7)8)14-30-20-16-10-11-19(26)32-22(16)23(28-5)21-17(20)12-13-29-21/h9-13,18H,14H2,1-8H3/b15-9-/t18-/m0/s1
InChIKey CCZQTOYVYOTAOE-YHTSIIMFSA-N
Mol Weight 488.6 g/mol
Molecular Formula C25H32O8Si
Exact Mass 488.186645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27k3qBj5wZi
Name Isobyakangelicin, 2'-o-angeloyl, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.186644517 u
Formula C25H32O8Si
InChI InChI=1S/C25H32O8Si/c1-9-15(2)24(27)31-18(25(3,4)33-34(6,7)8)14-30-20-16-10-11-19(26)32-22(16)23(28-5)21-17(20)12-13-29-21/h9-13,18H,14H2,1-8H3/b15-9-/t18-/m0/s1
InChIKey CCZQTOYVYOTAOE-YHTSIIMFSA-N
Molecular Weight 488.608 g/mol
SMILES C(\C(C)=C/C)(=O)O[C@@](COC=1C=2C=COC2C(OC)=C2OC(=O)C=CC12)(C(C)(C)O[Si](C)(C)C)[H]