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Rutinose 7ac @P1718

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

Rutinose 7ac @P1718
SpectraBase Compound ID Gvls7MYp3VU
InChI InChI=1S/C26H36O17/c1-10-19(36-11(2)27)21(38-13(4)29)23(40-15(6)31)25(35-10)34-9-18-20(37-12(3)28)22(39-14(5)30)24(41-16(7)32)26(43-18)42-17(8)33/h10,18-26H,9H2,1-8H3
InChIKey LUCVIXHBPBCYCD-UHFFFAOYSA-N
Mol Weight 620.6 g/mol
Molecular Formula C26H36O17
Exact Mass 620.19525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gGLWD7djuk
Name Rutinose 7ac @P1718
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 620.195249682 u
Formula C26H36O17
InChI InChI=1S/C26H36O17/c1-10-19(36-11(2)27)21(38-13(4)29)23(40-15(6)31)25(35-10)34-9-18-20(37-12(3)28)22(39-14(5)30)24(41-16(7)32)26(43-18)42-17(8)33/h10,18-26H,9H2,1-8H3
InChIKey LUCVIXHBPBCYCD-UHFFFAOYSA-N
Molecular Weight 620.557 g/mol
SMILES C1(C(C(OC(=O)C)C(OC1OC(=O)C)COC1C(C(OC(=O)C)C(C(O1)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C