HCR

7-HYDROXYCHOLESTEROL


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Chemical Component Summary

Name7-HYDROXYCHOLESTEROL
Synonyms(3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL
Identifiers(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
FormulaC27 H46 O2
Molecular Weight402.653
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C
InChIInChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKeyOYXZMSRRJOYLLO-KGZHIOMZSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count9
Bond Count78
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04706 
Name7beta-hydroxycholesterol
Groups experimental
Synonyms
  • 7β-hydroxycholesterol
  • 7beta-hydroxycholesterol
  • (3β,7β)-cholest-5-ene-3,7-diol
Categories
  • Cholestanes
  • Cholestenes
  • Fused-Ring Compounds
  • Lipids
  • Membrane Lipids
CAS number566-27-8

Related Resource References

Resource NameReference
Pharos CHEMBL497834
PubChem 473141
ChEMBL CHEMBL497834
ChEBI CHEBI:42989