Hispanolone

Hispanolone bmse001286 - Data

Hispanolone synonyms

Wikipedia:

Graphical representations:

Hispanolone

View large 3D structure

Molecular Formula: C20H30O3

Natural Isotopic Abundance Mass: 318.4504

Mono-Isotopic Molecular Masses:

  • C12N14: 318.21949482
  • C13N14: 338.28659158
  • C12N15: 318.21949482
  • C13N15: 338.28659158

InChI string: InChI=1S/C20H30O3/c1-14-16(21)12-17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h7,11,13-14,17,22H,5-6,8-10,12H2,1-4H3/t14-,17+,19+,20-/m1/s1

IUPAC: (3S,4R,4aS,8aS)-4-(2-furan-3-ylethyl)-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

PubChem Compound (CID): 5458747
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)