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Methyl 2,3,5-tris-o-(4-methoxybenzoyl)pentofuranoside #

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Methyl 2,3,5-tris-o-(4-methoxybenzoyl)pentofuranoside #
SpectraBase Compound ID BVhCQ7y4KbE
InChI InChI=1S/C30H30O11/c1-34-21-11-5-18(6-12-21)27(31)38-17-24-25(40-28(32)19-7-13-22(35-2)14-8-19)26(30(37-4)39-24)41-29(33)20-9-15-23(36-3)16-10-20/h5-16,24-26,30H,17H2,1-4H3/t24-,25-,26+,30+/m1/s1
InChIKey KXGYJCAIZIETAX-YTEUAAESSA-N
Mol Weight 566.56 g/mol
Molecular Formula C30H30O11
Exact Mass 566.178812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID De6inRrtQOK
Name Methyl 2,3,5-tris-o-(4-methoxybenzoyl)pentofuranoside #
Comments Computed using HOSE algorithm
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Exact Mass 566.178811775 u
Formula C30H30O11
InChI InChI=1S/C30H30O11/c1-34-21-11-5-18(6-12-21)27(31)38-17-24-25(40-28(32)19-7-13-22(35-2)14-8-19)26(30(37-4)39-24)41-29(33)20-9-15-23(36-3)16-10-20/h5-16,24-26,30H,17H2,1-4H3/t24-,25-,26+,30+/m1/s1
InChIKey KXGYJCAIZIETAX-YTEUAAESSA-N
Molecular Weight 566.559 g/mol
SMILES [C@]1([C@@]([C@@](COC(=O)C2=CC=C(C=C2)OC)(O[C@@]1(OC)[H])[H])(OC(=O)C1=CC=C(C=C1)OC)[H])(OC(=O)C1=CC=C(C=C1)OC)[H]