BMRB

Biological Magnetic Resonance Data Bank


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

Progesterone

Graphical representations:

Progesterone image

Molecular Formula: C21 H30 O2

Natural Isotopic Abundance Mass: 314.4617

Mono-Isotopic Molecular Masses:

  • C12N14: 314.2245802072
  • C13N14: 335.295031801
  • C12N15: 314.2245802072
  • C13N15: 335.295031801

InCHi String:

canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

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

PUBCHEM iupac SYSTEMATIC NAME
(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

PubChem Substance (SID):   85165267   8144717   110315
PubChem Compound (CID):   5994
KEGG: Compound ID   D00066
CAS Registry IDs:   8023-13-0   753497-20-0   8012-32-6   57-83-0   257630-50-5
PDB Chemical Component   STR
Miscellaneous Databases and IDs:   Sigma-Aldrich P0130_SIGMA   ChEBI CHEBI:17026   EPA DSSTox 33926   ChemBank BSPBio_000614   HSDB 3389   ZINC ZINC03814383   PDSP Prestwick_411   ChemIDplus 000057830   EINECS 200-350-6   CCRIS 533   DTP/NCI 64377   MMCD cq_02367   MDL MFCD00003658

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.