Chem
J-GLOBAL ID：201007078272069719   Nikkaji number：J2.793.194D

16α,17-Isopropylidenedioxy-6α-methylprogesterone

16α,17-ジヒドロキシ-6α-メチルプレグナ-4-エン-3,20-ジオンアセトン環状アセタール
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： C25H36O4
Molecular formula furigana： C25-H36-O4
Molecular weight： 400.559
InChI： InChI=1S/C25H36O4/c1-14-11-17-18(23(5)9-7-16(27)12-19(14)23)8-10-24(6)20(17)13-21-25(24,15(2)26)29-22(3,4)28-21/h12,14,17-18,20-21H,7-11,13H2,1-6H3/t14-,17+,18-,20-,21+,23+,24-,25+/m0/s1
InChI key： YWMWIAVBBQGFEY-MTJPYDJLSA-N
SMILES： C[C@H]1C[C@H]2[C@@H]3C[C@H]4OC(C)(C)O[C@@]4(C(=O)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Systematic name  (3)：
  • 16α,17-イソプロピリデンジオキシ-6α-メチルプロゲステロン
  • (1R,2S,4R,8S,9S,12S,13R,19S)-8-アセチル-6,6,9,13,19-ペンタメチル-5,7-ジオキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-17-エン-16-オン
  • (1R,2S,4R,8S,9S,12S,13R,19S)-8-acetyl-6,6,9,13,19-pentamethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Other name (3)：
  • 16α,17-Isopropylidenedioxy-6α-methylprogesterone
  • 16α,17-Dihydroxy-6α-methylpregn-4-ene-3,20-dione cyclic acetal with acetone
  • 16α,17-ジヒドロキシ-6α-メチルプレグナ-4-エン-3,20-ジオンアセトン環状アセタール
KEGG COMPOUND： C15280
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