Chem
J-GLOBAL ID：200907000738495861   Nikkaji number：J6.267G

Digitogenin

ジギトゲニン
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： C27H44O5
Molecular formula furigana： C27-H44-O5
Molecular weight： 448.644
InChI： InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1
InChI key： COVOPPXLDJVUSC-JPYPKGSXSA-N
SMILES： C[C@H]1[C@H]2[C@@H](O[C@@]31CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]21C
Systematic name  (3)：
  • (25R)-5α-スピロスタン-2α,3β,15β-トリオール
  • (1'R,2R,2'S,3'S,4'R,5R,7'S,8'R,9'S,12'S,13'S,15'R,16'R,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]-3',15',16'-トリオール
  • (1'R,2R,2'S,3'S,4'R,5R,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-3',15',16'-triol
Other name (4)：
  • ジギトゲニン
  • Digitogenin
  • (25R)-5α-Spirostan-2α,3β,15β-triol
  • (25R)-5α-Spirostane-2α,3β,15β-triol
CAS registry number： 511-34-2
KEGG COMPOUND： C08896
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