BMRB

Biological Magnetic Resonance Data Bank


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

2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one synonyms

2-Hydroxyestrone

Wikipedia:

Graphical representations:

2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one image

Molecular Formula: C18H22O3

Natural Isotopic Abundance Mass: 286.36548

Mono-Isotopic Molecular Masses:

  • C12N14: 286.156894564001
  • C13N14: 304.217281648001
  • C12N15: 286.156894564001
  • C13N15: 304.217281648001

InCHi String: InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   440623
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_02997

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.