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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2,3-Diacetoxypropioveratrone

2,3-Diacetoxypropioveratrone synonyms

2,3-Diacetoxypropioveratrone; 2,3-diacetoxy-3',4'-dimethoxypropiophenone

Wikipedia:

Graphical representations:

2,3-Diacetoxypropioveratrone image

Molecular Formula: C15 H18 O7

Natural Isotopic Abundance Mass: 310.29922

Mono-Isotopic Molecular Masses:

  • C12N14: 310.1052529325
  • C13N14: 325.1555754995
  • C12N15: 310.1052529325
  • C13N15: 325.1555754995

InCHi String: InChI=1S/C15H18O7/c1-9(16)21-8-14(22-10(2)17)15(18)11-5-6-12(19-3)13(7-11)20-4/h5-7,14H,8H2,1-4H3

Canonical and Isomeric SMILES: C(=O)OCC(C(C1=CC(=C(C=C1)OC)OC)=O)OC(C)=O

Beilstein
2,3-Diacetoxypropioveratrone

PubChem Substance (SID):   111677917
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 1
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.