BMRB

Biological Magnetic Resonance Data Bank


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

Erone Diacetate

Graphical representations:

Erone diacetate image

Molecular Formula: C21 H22 O8

Natural Isotopic Abundance Mass: 402.39458

Mono-Isotopic Molecular Masses:

  • C12N14: 402.131467683
  • C13N14: 423.2019192768
  • C12N15: 402.131467683
  • C13N15: 423.2019192768

InCHi String: InChI=1/C21H22O8/c1-13(22)27-12-20(29-17-8-6-5-7-16(17)25-3)21(24)15-9-10-18(28-14(2)23)19(11-15)26-4/h5-11,20H,12H2,1-4H3

Canonical and Isomeric SMILES: SMILES_STRING

Beilstein
Erone diacetate

PubChem Substance (SID):   111677975
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 162
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.