Molecular Formula: C31H46O2
Natural Isotopic Abundance Mass: 450.69574
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24+/m1/s1
IUPAC: 2-methyl-3-[(E,7S,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
PubChem Compound (CID): 5280483Reference 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)