BMRB

Biological Magnetic Resonance Data Bank


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

21-Hydroxypregnenolone

21-Hydroxypregnenolone synonyms

21-hydroxypregnenolone; 21-Hydroxypregnenolone

Wikipedia:

Graphical representations:

21-Hydroxypregnenolone image

Molecular Formula: C21 H32 O3

Natural Isotopic Abundance Mass: 332.47698

Mono-Isotopic Molecular Masses:

  • C12N14: 332.2351448935
  • C13N14: 353.3055964873
  • C12N15: 332.2351448935
  • C13N15: 353.3055964873

InCHi String:

canonical and isomeric SMILES: CC12CCC3C(C1CCC2C(=O)CO)CC=C4C3(CCC(C4)O)C

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

PUBCHEM iupac SYSTEMATIC NAME
1-(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanyl-ethanone

PubChem Substance (SID):   80769170   7845
PubChem Compound (CID):   440705
KEGG: Compound ID   C05485
CAS Registry IDs:   1164-98-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_03080   NextBio 440705

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.