Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Molecular Formula: C38H44O16
Natural Isotopic Abundance Mass: 756.74636
Mono-Isotopic Molecular Masses:
InChI string: InChI=1/C38H44O16/c1-21(39)48-19-34(53-29-13-11-10-12-28(29)44-6)37(52-25(5)43)27-17-32(46-8)38(33(18-27)47-9)54-35(20-49-22(2)40)36(51-24(4)42)26-14-15-30(50-23(3)41)31(16-26)45-7/h10-18,34-37H,19-20H2,1-9H3
USDA_NMR_database: 226Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)