G-b-S-c-CA (acetate)

G-b-S-c-CA (acetate) bmse010109 - Data

G_b_S_c_CA_acetate synonyms

Wikipedia:

Graphical representations:

G_b_S_c_CA_acetate

View large 3D structure

Molecular Formula: C41H46O16

Natural Isotopic Abundance Mass: 794.79434

Mono-Isotopic Molecular Masses:

  • C12N14: 794.2785854302
  • C13N14: 835.41613378
  • C12N15: 794.2785854302
  • C13N15: 835.41613378

InChI string: InChI=1S/C41H46O16/c1-22(42)51-14-10-11-27-15-30-31(20-52-23(2)43)38(57-40(30)34(16-27)48-7)29-18-35(49-8)41(36(19-29)50-9)56-37(21-53-24(3)44)39(55-26(5)46)28-12-13-32(54-25(4)45)33(17-28)47-6/h10-13,15-19,31,37-39H,14,20-21H2,1-9H3/b11-10+/t31-,37-,38+,39-/m0/s1

USDA_NMR_database: 182

Reference 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)