BMRB

Biological Magnetic Resonance Data Bank


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

Adrenosterone

Graphical representations:

adrenosterone image

Molecular Formula: C19 H24 O3

Natural Isotopic Abundance Mass: 300.39206

Mono-Isotopic Molecular Masses:

  • C12N14: 300.1725446367
  • C13N14: 319.2362865549
  • C12N15: 300.1725446367
  • C13N15: 319.2362865549

InCHi String:

canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4=O)C

isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione

PubChem Substance (SID):   85165303   50124181   24857187
PubChem Compound (CID):   223997
KEGG: Compound ID   C05285
CAS Registry IDs:   382-45-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 284998_ALDRICH   ChemBank SPBio_002927   ChemSpider 19031546   DTP/NCI 12166   NCGC NCGC00179466-01   MMCD cq_02951   MDL MFCD00003606

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.