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Gastrodin, pentamethyl ether

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

Gastrodin, pentamethyl ether
SpectraBase Compound ID 9eLGthC3iOE
InChI InChI=1S/C18H28O7/c1-19-10-12-6-8-13(9-7-12)24-18-17(23-5)16(22-4)15(21-3)14(25-18)11-20-2/h6-9,14-18H,10-11H2,1-5H3/t14-,15-,16+,17-,18-/m1/s1
InChIKey PILOUHGMNNUNRZ-UYTYNIKBSA-N
Mol Weight 356.42 g/mol
Molecular Formula C18H28O7
Exact Mass 356.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUyqsQ14UXA
Name Gastrodin, pentamethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 356.183503235 u
Formula C18H28O7
InChI InChI=1S/C18H28O7/c1-19-10-12-6-8-13(9-7-12)24-18-17(23-5)16(22-4)15(21-3)14(25-18)11-20-2/h6-9,14-18H,10-11H2,1-5H3/t14-,15-,16+,17-,18-/m1/s1
InChIKey PILOUHGMNNUNRZ-UYTYNIKBSA-N
Molecular Weight 356.415 g/mol
SMILES [C@@]1(OC2=CC=C(C=C2)COC)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]