BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Hispanolone

Hispanolone synonyms

hispanolone

Wikipedia:

Graphical representations:

Hispanolone image

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

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   5458747
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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