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2-Hexoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, hexaacetate

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2-Hexoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, hexaacetate
SpectraBase Compound ID 2pwR7ogAtAb
InChI InChI=1S/C29H44O16/c1-8-9-10-11-12-36-29-27(44-20(7)35)25(42-18(5)33)23(40-16(3)31)22(45-29)14-38-28-26(43-19(6)34)24(41-17(4)32)21(13-37-28)39-15(2)30/h21-29H,8-14H2,1-7H3
InChIKey YKNOTFZLNBPLTL-UHFFFAOYSA-N
Mol Weight 648.7 g/mol
Molecular Formula C29H44O16
Exact Mass 648.262935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gGLVnVcfk1
Name 2-Hexoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, hexaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 648.262935321 u
Formula C29H44O16
InChI InChI=1S/C29H44O16/c1-8-9-10-11-12-36-29-27(44-20(7)35)25(42-18(5)33)23(40-16(3)31)22(45-29)14-38-28-26(43-19(6)34)24(41-17(4)32)21(13-37-28)39-15(2)30/h21-29H,8-14H2,1-7H3
InChIKey YKNOTFZLNBPLTL-UHFFFAOYSA-N
Molecular Weight 648.655 g/mol
SMILES C1(OC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)COC1OCC(C(C1OC(C)=O)OC(C)=O)OC(C)=O)OCCCCCC