Substance
  • Substance Name: 3beta-butanoyloxycholest-5-ene
  • Formula: C31H52O2
  • Molecular Weight: 456.7 g/mol
  • Identifiers:
    • inchi: InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
    • inchikey: CKDZWMVGDHGMFR-GTPODGLVSA-N
    • casrn: 521-13-1
    • csmiles: CCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
    • ismiles: CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
    • pubchemId: 101741
    • 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-yl] butanoate
    • wikidataId: Q27260812
    • chemspiderId: 91927
    • ecnumber: 208-304-7
3beta-butanoyloxycholest-5-ene
Systems and Datasets