Substance
  • Substance Name: diosgenin
  • Formula: C27H42O3
  • Molecular Weight: 414.6 g/mol
  • Identifiers:
    • casrn: 512-04-9
    • pubchemId: 99474
    • inchi: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
    • inchikey: WQLVFSAGQJTQCK-VKROHFNGSA-N
    • csmiles: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
    • ismiles: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
    • iupacname: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
    • wikidataId: Q1107734
    • chemspiderId: 89870
    • dsstoxcmpId: DTXCID301324626
    • chemblId: CHEMBL412437
    • ecnumber: 208-134-3
diosgenin
Systems and Datasets