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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Dehydroabietic Acid

Dehydroabietic Acid synonyms

dehydroabietic acid

Wikipedia:

Graphical representations:

Dehydroabietic acid image

View large 3D structure

Molecular Formula: C20H28O2

Natural Isotopic Abundance Mass: 300.43512

Mono-Isotopic Molecular Masses:

  • C12N14: 300.208930136
  • C13N14: 320.276026896
  • C12N15: 300.208930136
  • C13N15: 320.276026896

InChI String: InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   94391
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