Substance
  • Substance Name: cholesterol
  • Formula: C27H46O
  • Molecular Weight: 386.7 g/mol
  • Identifiers:
    • casrn: 57-88-5
    • pubchemId: 5997
    • iupacname: (3S,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]phenanthren-3-ol
    • inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
    • inchikey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
    • csmiles: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    • ismiles: C[C@H](CCCC(C)C)[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
    • wikidataId: Q43656
    • chemspiderId: 5775
    • dsstoxcmpId: DTXCID402401
    • chemblId: CHEMBL112570
    • ecnumber: 200-353-2
cholesterol
Systems and Datasets