BMRB

Biological Magnetic Resonance Data Bank


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

Dihydroisorescinnamine

Dihydroisorescinnamine bmse001300 - Data

Dihydroisorescinnamine synonyms

Wikipedia:

Graphical representations:

Dihydroisorescinnamine

View large 3D structure

Molecular Formula: C35H44N2O9

Natural Isotopic Abundance Mass: 636.73186

Mono-Isotopic Molecular Masses:

  • C12N14: 636.304680998
  • C13N14: 671.422100328
  • C12N15: 638.298750784
  • C13N15: 673.416170114

InChI string: InChI=1S/C35H44N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h8-9,13-14,16,20,24,26,29,31,34,36H,7,10-12,15,17-18H2,1-6H3/t20-,24-,26+,29-,31-,34+/m0/s1

PubChem Compound (CID): 232430
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)