Gelcohol

Gelcohol bmse001289 - Data

Gelcohol synonyms

Wikipedia:

Graphical representations:

Gelcohol

View large 3D structure

Molecular Formula: C16H26O4

Natural Isotopic Abundance Mass: 282.37524

Mono-Isotopic Molecular Masses:

  • C12N14: 282.183109312
  • C13N14: 298.23678672
  • C12N15: 282.183109312
  • C13N15: 298.23678672

InChI string: InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1

IUPAC: (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol

PubChem Compound (CID): 222778
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)