Chem
J-GLOBAL ID：200907024533232538   Nikkaji number：J817.820H

6-Deoxoteasterone

6-デオキソテアステロン
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： C28H50O3
Molecular formula furigana： C28-H50-O3
Molecular weight： 434.705
InChI： InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1
InChI key： WPHVOXMMNSLJSF-GUOPQYDVSA-N
SMILES： CC(C)[C@H](C)[C@@H](O)[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)：
  • (22R,23R,24S)-5α-エルゴスタン-3β,22,23-トリオール
  • (2S,3R,4R,5S)-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-3,4-ジオール
  • (2S,3R,4R,5S)-2-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol
Other name (3)：
  • 6-デオキソテアステロン
  • 6-Deoxoteasterone
  • (22R,23R,24S)-5α-Ergostane-3β,22,23-triol
CAS registry number： 188397-19-5
KEGG COMPOUND： C15799
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