HC3

25-HYDROXYCHOLESTEROL


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Chemical Component Summary

Name25-HYDROXYCHOLESTEROL
Synonyms(3BETA)-CHOLEST-5-ENE-3,25-DIOL
Identifiers(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
FormulaC27 H46 O2
Molecular Weight402.653
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChIInChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyINBGSXNNRGWLJU-ZHHJOTBYSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count8
Bond Count78
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04705 
Name25-Hydroxycholesterol
Groups experimental
Synonyms
  • 25-Hydroxycholesterol
  • 5-Cholestene-3beta,25-diol
  • Cholest-5-ene-3beta,25-diol
Categories
  • Cholestanes
  • Cholestenes
  • Fused-Ring Compounds
  • Lipids
  • Membrane Lipids
CAS number2140-46-7

Related Resource References

Resource NameReference
Pharos CHEMBL169046
PubChem 65094
ChEMBL CHEMBL169046
ChEBI CHEBI:42977