Chem
J-GLOBAL ID：200907028299014969   Nikkaji number：J642.180F

3-Dehydro-6-deoxoteasterone

3-デヒドロ-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： C28H48O3
Molecular formula furigana： C28-H48-O3
Molecular weight： 432.689
InChI： InChI=1S/C28H48O3/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/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1
InChI key： URNVSZVQLKHKDE-WAFXAADMSA-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]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R,23R,24S)-22,23-ジヒドロキシ-5α-エルゴスタン-3-オン
  • (1R,3aS,3bR,5aS,9aS,9bS,11aS)-1-[(2S,3R,4R,5S)-3,4-ジヒドロキシ-5,6-ジメチルヘプタン-2-イル]-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-7-オン
  • (1R,3aS,3bR,5aS,9aS,9bS,11aS)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • 3-デヒドロ-6-デオキソテアステロン
  • (22R,23R,24S)-22,23-Dihydroxy-5α-ergostan-3-one
  • 3-Dehydro-6-deoxoteasterone
CAS registry number： 164034-48-4
KEGG COMPOUND： C15800
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