BMRB

Biological Magnetic Resonance Data Bank


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

Beta-Yohimbine

Beta-Yohimbine synonyms

Wikipedia:

Graphical representations:

beta-Yohimbine image

View large 3D structure

Molecular Formula: C21H26N2O3

Natural Isotopic Abundance Mass: 354.44274

Mono-Isotopic Molecular Masses:

  • C12N14: 354.194342702
  • C13N14: 375.2647943
  • C12N15: 356.188412488
  • C13N15: 377.258864086

InChI String: InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   2866
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