G-b-S-r-S-b-G

G-b-S-r-S-b-G bmse010121 - Data

G_b_S_r_S_b_G synonyms

Wikipedia:

Graphical representations:

G_b_S_r_S_b_G

View large 3D structure

Molecular Formula: C42H50O16

Natural Isotopic Abundance Mass: 810.8368

Mono-Isotopic Molecular Masses:

  • C12N14: 810.3098855586
  • C13N14: 852.4507887462
  • C12N15: 810.3098855586
  • C13N15: 852.4507887462

InChI string: InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39-,40-/m1/s1

USDA_NMR_database: 194

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)