Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Cholesteryl Sulfate

Graphical representations:


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Molecular Formula: C27H46O4S

Natural Isotopic Abundance Mass: 466.71674

Mono-Isotopic Molecular Masses:

  • C12N14: 466.311680655
  • C13N14: 493.4022612756
  • C12N15: 466.311680655
  • C13N15: 493.4022612756

InChI string: InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

PubChem Compound (CID): 65076
CAS Registry number: 2864-50-8
Beilstein Registry Number: 3899884
MDL number: MFCD00079091
CAS Registry number: 1256-86-6
Sigma-Aldrich: C9523_SIGMA
811: HMDB00653
ChEBI: CHEBI:41321
LipidMAPS: LMST05020016
ChemIDplus: 0001256866
BIND: 484
CCRIS: 7559
KEGG Compound ID: C18043

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,