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Methyl 3,4:5,6-di-isopropylidene-2-o-isopropylidene-2-o-benzyl-D-gluconoate

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

Methyl 3,4:5,6-di-isopropylidene-2-o-isopropylidene-2-o-benzyl-D-gluconoate
SpectraBase Compound ID FNXj63jfIno
InChI InChI=1S/C20H28O7/c1-19(2)24-12-14(25-19)15-16(27-20(3,4)26-15)17(18(21)22-5)23-11-13-9-7-6-8-10-13/h6-10,14-17H,11-12H2,1-5H3/t14-,15-,16+,17-/m1/s1
InChIKey ONZDMJCBPFPYKD-WCXIOVBPSA-N
Mol Weight 380.44 g/mol
Molecular Formula C20H28O7
Exact Mass 380.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JD6PvfSRP96
Name Methyl 3,4:5,6-di-isopropylidene-2-o-isopropylidene-2-o-benzyl-D-gluconoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.183503235 u
Formula C20H28O7
InChI InChI=1S/C20H28O7/c1-19(2)24-12-14(25-19)15-16(27-20(3,4)26-15)17(18(21)22-5)23-11-13-9-7-6-8-10-13/h6-10,14-17H,11-12H2,1-5H3/t14-,15-,16+,17-/m1/s1
InChIKey ONZDMJCBPFPYKD-WCXIOVBPSA-N
Molecular Weight 380.437 g/mol
SMILES [C@@]1([C@@]([C@@]2(OC(C)(C)OC2)[H])(OC(O1)(C)C)[H])([C@](C(=O)OC)(OCC1=CC=CC=C1)[H])[H]