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.beta.-D-Glucopyranoside, .beta.-D-glucopyranosyl, 6-(8-methylnonanoate), 7ac derivative

View entire compound with spectra: 1 NMR

.beta.-D-Glucopyranoside, .beta.-D-glucopyranosyl, 6-(8-methylnonanoate), 7ac derivative
SpectraBase Compound ID 9fp3RQohf3Z
InChI InChI=1S/C36H54O19/c1-18(2)14-12-10-11-13-15-28(44)46-17-27-30(48-21(5)39)32(50-23(7)41)34(52-25(9)43)36(54-27)55-35-33(51-24(8)42)31(49-22(6)40)29(47-20(4)38)26(53-35)16-45-19(3)37/h18,26-27,29-36H,10-17H2,1-9H3/t26-,27-,29-,30-,31+,32+,33-,34-,35+,36+/m1/s1
InChIKey CRZKVJSMZYWCRG-QZWPBAMJSA-N
Mol Weight 790.8 g/mol
Molecular Formula C36H54O19
Exact Mass 790.325929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S8h3YQPJEC
Name .beta.-D-Glucopyranoside, .beta.-D-glucopyranosyl, 6-(8-methylnonanoate), 7ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 790.325929500 u
Formula C36H54O19
InChI InChI=1S/C36H54O19/c1-18(2)14-12-10-11-13-15-28(44)46-17-27-30(48-21(5)39)32(50-23(7)41)34(52-25(9)43)36(54-27)55-35-33(51-24(8)42)31(49-22(6)40)29(47-20(4)38)26(53-35)16-45-19(3)37/h18,26-27,29-36H,10-17H2,1-9H3/t26-,27-,29-,30-,31+,32+,33-,34-,35+,36+/m1/s1
InChIKey CRZKVJSMZYWCRG-QZWPBAMJSA-N
Molecular Weight 790.809 g/mol
SMILES [C@@]1(O[C@]2([C@@]([C@]([C@@]([C@](O2)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])([C@@]([C@]([C@@]([C@](O1)(COC(CCCCCCC(C)C)=O)[H])(OC(C)=O)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]