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Methyl (2S,3S,6S,8R)-8-benzyloxy-3,6-dihydroxy-2-methylnonanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl (2S,3S,6S,8R)-8-benzyloxy-3,6-dihydroxy-2-methylnonanoate
SpectraBase Compound ID 7PtGTeECzut
InChI InChI=1S/C18H28O5/c1-13(23-12-15-7-5-4-6-8-15)11-16(19)9-10-17(20)14(2)18(21)22-3/h4-8,13-14,16-17,19-20H,9-12H2,1-3H3/t13-,14+,16+,17+/m1/s1
InChIKey XBUDJAJATPSMJT-OHFALNGGSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2quauK3jNqV
Name Methyl (2S,3S,6S,8R)-8-benzyloxy-3,6-dihydroxy-2-methylnonanoate
Comments Computed using HOSE algorithm
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Exact Mass 324.193673997 u
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-13(23-12-15-7-5-4-6-8-15)11-16(19)9-10-17(20)14(2)18(21)22-3/h4-8,13-14,16-17,19-20H,9-12H2,1-3H3/t13-,14+,16+,17+/m1/s1
InChIKey XBUDJAJATPSMJT-OHFALNGGSA-N
Molecular Weight 324.417 g/mol
SMILES [C@](C(=O)OC)([C@](CC[C@@](C[C@](OCC1=CC=CC=C1)(C)[H])(O)[H])(O)[H])(C)[H]