BMRB

Biological Magnetic Resonance Data Bank


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

Dehydroabietic Acid

Dehydroabietic Acid bmse001287 - Data

Dehydroabietic Acid synonyms

Wikipedia:

Graphical representations:

Dehydroabietic

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

IUPAC: (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

PubChem Compound (CID): 94391
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)