Chem
J-GLOBAL ID：200907037202923691   Nikkaji number：J1.050.804E

6-Deoxocathasterone

6-デオキソカタステロン
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： C28H50O2
Molecular formula furigana： C28-H50-O2
Molecular weight： 418.706
InChI： InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChI key： ZHZKWZJLUNXOSN-YUZBOUAZSA-N
SMILES： CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22S,24R)-5α-エルゴスタン-3β,22-ジオール
  • (2S,3S,5R)-2-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-ヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-5,6-ジメチルヘプタン-3-オール
  • (2S,3S,5R)-2-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptan-3-ol
Other name (3)：
  • (22S,24R)-5α-Ergostane-3β,22-diol
  • 6-デオキソカタステロン
  • 6-Deoxocathasterone
KEGG COMPOUND： C15798
Thsaurus map：
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