Substance
  • Substance Name: beta-sitosterol
  • Formula: C29H50O
  • Molecular Weight: 414.7 g/mol
  • Identifiers:
    • casrn: 83-46-5
    • pubchemId: 222284
    • iupacname: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • inchi: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
    • inchikey: KZJWDPNRJALLNS-VJSFXXLFSA-N
    • csmiles: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
    • ismiles: CC[C@H](CC[C@@H](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)C(C)C
    • wikidataId: Q121802
    • chemspiderId: 192962
    • dsstoxcmpId: DTXCID802481
    • ecnumber: 201-480-6
beta-sitosterol
Systems and Datasets