G-b-S-r-S-b-G (acetate)

G-b-S-r-S-b-G (acetate) bmse010124 - Data

G_b_S_r_S_b_G_acetate synonyms

Wikipedia:

Graphical representations:

G_b_S_r_S_b_G_acetate

View large 3D structure

Molecular Formula: C54H62O22

Natural Isotopic Abundance Mass: 1063.05688

Mono-Isotopic Molecular Masses:

  • C12N14: 1062.3732736764
  • C13N14: 1116.5544349176
  • C12N15: 1062.3732736764
  • C13N15: 1116.5544349176

InChI string: InChI=1S/C54H62O22/c1-27(55)67-25-47(51(73-31(5)59)33-13-15-39(71-29(3)57)41(17-33)61-7)75-53-43(63-9)19-35(20-44(53)64-10)49-37-23-70-50(38(37)24-69-49)36-21-45(65-11)54(46(22-36)66-12)76-48(26-68-28(2)56)52(74-32(6)60)34-14-16-40(72-30(4)58)42(18-34)62-8/h13-22,37-38,47-52H,23-26H2,1-12H3/t37-,38-,47+,48+,49-,50-,51+,52+/m1/s1

USDA_NMR_database: 197

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)