Chem
J-GLOBAL ID：200907004677676596   Nikkaji number：J4.209I

Tigogenin

チゴゲニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H44O3
Molecular formula furigana： C27-H44-O3
Molecular weight： 416.646
InChI： InChI=1S/C27H44O3/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/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI key： GMBQZIIUCVWOCD-MFRNJXNGSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CC[C@@H](C)CO2
Systematic name  (4)：
  • (25R)-5α-スピロスタン-3β-オール
  • (25R)-3β-ヒドロキシ-5α-スピロスタン
  • (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-16'-オール
  • (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-16'-ol
Other name (6)：
  • チゴゲニン
  • Tigogenin
  • (25R)-5α-Spirostan-3β-ol
  • (25R)-3β-Hydroxy-5α-spirostane
  • トリゴネゲニンB
Show all
CAS registry number： 77-60-1
Regulation number (1)：
  • EINECS2010419
KEGG COMPOUND： C08914
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