Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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21_hydroxypregnenolone synonyms



Graphical representations:


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Molecular Formula: C21H32O3

Natural Isotopic Abundance Mass: 332.47698

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16+,17-,18+,20-,21+/m1/s1

PubChem Compound (CID): 440705
MMCD: cq_03080
CAS Registry number: 1164-98-3
KEGG Compound ID: C05485
NextBio: 440705

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,