BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone

1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone synonyms

3-alpha,17-alpha-Dihydroxy-5-beta-pregnan-20-one

Wikipedia:

Graphical representations:

1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone image

Molecular Formula: C21H34O3

Natural Isotopic Abundance Mass: 334.49286

Mono-Isotopic Molecular Masses:

  • C12N14: 334.250794948001
  • C13N14: 355.321246546001
  • C12N15: 334.250794948001
  • C13N15: 355.321246546001

InCHi String: InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   536976
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_16279

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.