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(11-BENZOYLOXY-3,6,9-TRIOXAUNDECYL-3,4,5,7-TETRA-O-BENZYL-ALPHA-D-GLUCO-HEPT-2-ULOPYRANOSID)-ONIC-ACID
SpectraBase Compound ID B2FEwXypzIE
InChI InChI=1S/C50H56O13/c51-48(43-24-14-5-15-25-43)58-32-30-55-28-26-54-27-29-56-31-33-62-50(49(52)53)47(61-37-42-22-12-4-13-23-42)46(60-36-41-20-10-3-11-21-41)45(59-35-40-18-8-2-9-19-40)44(63-50)38-57-34-39-16-6-1-7-17-39/h1-25,44-47H,26-38H2,(H,52,53)/t44-,45-,46+,47-,50-/m0/s1
InChIKey AOZGWOLFNQOIEU-IOFBAUBGSA-N
Mol Weight 865.0 g/mol
Molecular Formula C50H56O13
Exact Mass 864.372092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Y3WYDlzZhq
Name (11-BENZOYLOXY-3,6,9-TRIOXAUNDECYL-3,4,5,7-TETRA-O-BENZYL-ALPHA-D-GLUCO-HEPT-2-ULOPYRANOSID)-ONIC-ACID
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H56O13
InChI InChI=1S/C50H56O13/c51-48(43-24-14-5-15-25-43)58-32-30-55-28-26-54-27-29-56-31-33-62-50(49(52)53)47(61-37-42-22-12-4-13-23-42)46(60-36-41-20-10-3-11-21-41)45(59-35-40-18-8-2-9-19-40)44(63-50)38-57-34-39-16-6-1-7-17-39/h1-25,44-47H,26-38H2,(H,52,53)/t44-,45-,46+,47-,50-/m0/s1
InChIKey AOZGWOLFNQOIEU-IOFBAUBGSA-N
Literature Reference Author T.YAMANOI,Y.ODA,H.MURAISHI,S.MATSUDA
Literature Reference Citation MOLECULES,13,1840(2008)
Literature Reference DOI 10.3390/molecules13081840
Molecular Weight 864.987 g/mol
Sample ID 56795
Solvent CDCl3