BMRB

Biological Magnetic Resonance Data Bank


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

Androsterone

Graphical representations:

androsterone image

Molecular Formula: C19 H30 O2

Natural Isotopic Abundance Mass: 290.4403

Mono-Isotopic Molecular Masses:

  • C12N14: 290.2245802072
  • C13N14: 309.2883221254
  • C12N15: 290.2245802072
  • C13N15: 309.2883221254

InCHi String: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1

canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O

isomeric SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

PubChem Substance (SID):   85165324   11486037   10321647
PubChem Compound (CID):   5879
KEGG: Compound ID   C00523
CAS Registry IDs:   53-41-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 219010_ALDRICH   ChEBI CHEBI:16032   ChemIDplus 000053418   Caswell No. 051G   Shanghai Institute of Organic Chemistry 1x8j   ChemSpider 5668   MMDB 31956.7   EINECS 200-173-4   DTP/NCI 9898   EPA Pesticide Chemical Code 126501   LipidMAPS LMST02020001   ZINC ZINC03861550   PDSP Prestwick_689   Beilstein Handbook Reference 4-08-00-00642   NCGC NCGC00161664-02   MMCD cq_00374   MDL MFCD00003618

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.