Parthenin

Parthenin bmse001299 - Data

Parthenin synonyms

Wikipedia:

Graphical representations:

Parthenin

View large 3D structure

Molecular Formula: C15H18O4

Natural Isotopic Abundance Mass: 262.30102

Mono-Isotopic Molecular Masses:

  • C12N14: 262.120509056
  • C13N14: 277.170831626
  • C12N15: 262.120509056
  • C13N15: 277.170831626

InChI string: InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15-/m0/s1

IUPAC: (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[7,8-d]furan-2,9-dione

PubChem Compound (CID): 10499
NSC:

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)