Chem
J-GLOBAL ID：200907003191652982   Nikkaji number：J1.816.395K

16β-Methyl-17-(cyclopentylacetoxy)pregna-4,6-diene-3,20-dione

16β-メチル-17-(シクロペンチルアセトキシ)プレグナ-4,6-ジエン-3,20-ジオン
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： C29H40O4
Molecular formula furigana： C29-H40-O4
Molecular weight： 452.635
InChI： InChI=1S/C29H40O4/c1-18-15-25-23-10-9-21-17-22(31)11-13-27(21,3)24(23)12-14-28(25,4)29(18,19(2)30)33-26(32)16-20-7-5-6-8-20/h9-10,17-18,20,23-25H,5-8,11-16H2,1-4H3/t18-,23+,24-,25-,27-,28-,29-/m0/s1
InChI key： PEJTXLKEXWILOE-SPUISHOFSA-N
SMILES： C[C@H]1C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(=O)CC1CCCC1)C(=O)C
Systematic name  (3)：
  • 16β-メチル-17-(シクロペンチルアセトキシ)プレグナ-4,6-ジエン-3,20-ジオン
  • (1R,2S,3aS,3bR,9aR,9bS,11aS)-1-アセチル-2,9a,11a-トリメチル-7-オキソ-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル 2-シクロペンチルアセタート
  • (1R,2S,3aS,3bR,9aR,9bS,11aS)-1-acetyl-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 2-cyclopentylacetate
Other name (1)：
  • 16β-Methyl-17-(cyclopentylacetoxy)pregna-4,6-diene-3,20-dione
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