BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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(-)-Ambroxide

(-)-Ambroxide synonyms

ambrox

Wikipedia:

Graphical representations:

(-)-Ambroxide image

View large 3D structure

Molecular Formula: C16H28O

Natural Isotopic Abundance Mass: 236.39292

Mono-Isotopic Molecular Masses:

  • C12N14: 236.214015516
  • C13N14: 252.267692924
  • C12N15: 236.214015516
  • C13N15: 252.267692924

InChI String: InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   10857465
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