Betulin

Betulin bmse001296 - Data

Betulin synonyms

Wikipedia:

Graphical representations:

Betulin

View large 3D structure

Molecular Formula: C30H50O2

Natural Isotopic Abundance Mass: 442.7168

Mono-Isotopic Molecular Masses:

  • C12N14: 442.38108084
  • C13N14: 472.48172598
  • C12N15: 442.38108084
  • C13N15: 472.48172598

InChI string: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1

PubChem Compound (CID): 72326

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)