Chem
J-GLOBAL ID：200907011473294445   Nikkaji number：J2.093.896J

(3R,8aα)-4aβ,3β,4β-[(Z)-1-[2-(Methoxymethoxy)ethoxy]-3-pentene-1,2,5-triyl]-3-(2-acetoxyethyl)-8β-cyano-8-methyldecalin-1-one

(3R,8aα)-4aβ,3β,4β-[(Z)-1-[2-(メトキシメトキシ)エトキシ]-3-ペンテン-1,2,5-トリイル]-3-(2-アセトキシエチル)-8β-シアノ-8-メチルデカリン-1-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： C25H35NO6
Molecular formula furigana： C25-H35-N-O6
Molecular weight： 445.556
InChI： InChI=1S/C25H35NO6/c1-17(27)31-11-10-24-14-19(28)21-23(2,15-26)8-5-9-25(21)20(24)7-4-6-18(24)22(25)32-13-12-30-16-29-3/h4,6,18,20-22H,5,7-14,16H2,1-3H3/t18?,20-,21-,22?,23+,24+,25-/m1/s1
InChI key： MASOPDZUBNBKFQ-OTZAZKFOSA-N
SMILES： COCOCCOC1C2C=CC[C@@H]3[C@@]2(CCOC(=O)C)CC(=O)[C@H]2[C@]13CCC[C@@]2(C)C#N
Systematic name  (3)：
  • (3R,8aα)-4aβ,3β,4β-[(Z)-1-[2-(メトキシメトキシ)エトキシ]-3-ペンテン-1,2,5-トリイル]-3-(2-アセトキシエチル)-8β-シアノ-8-メチルデカリン-1-オン
  • 2-[(1R,5R,6R,9R,10R)-5-シアノ-15-[2-(メトキシメトキシ)エトキシ]-5-メチル-7-オキソテトラシクロ[8.5.0.01,6.09,14]ペンタデカ-12-エン-9-イル]エチル アセタート
  • 2-[(1R,5R,6R,9R,10R)-5-cyano-15-[2-(methoxymethoxy)ethoxy]-5-methyl-7-oxotetracyclo[8.5.0.01,6.09,14]pentadec-12-en-9-yl]ethyl acetate
Other name (1)：
  • (3R,8aα)-4aβ,3β,4β-[(Z)-1-[2-(Methoxymethoxy)ethoxy]-3-pentene-1,2,5-triyl]-3-(2-acetoxyethyl)-8β-cyano-8-methyldecalin-1-one
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