Chem
J-GLOBAL ID：201107052742015805   Nikkaji number：J2.995.522K

(4R)-3-(2-Ethoxyethenyl)-4α-[tert-butylsulfinyl(methyl)amino]-4-[3-[2-(trimethylsilyl)ethyl]-4-methoxyphenethyl]-2,5-cyclohexadiene-1-one dimethyl acetal

(4R)-3-(2-エトキシエテニル)-4α-[tert-ブチルスルフィニル(メチル)アミノ]-4-[3-[2-(トリメチルシリル)エチル]-4-メトキシフェネチル]-2,5-シクロヘキサジエン-1-オンジメチルアセタール
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： C31H51NO5SSi
Molecular formula furigana： C31-H51-N-O5-S-SI
Molecular weight： 577.900
InChI： InChI=1S/C31H51NO5SSi/c1-12-37-21-16-27-24-31(35-7,36-8)20-19-30(27,32(5)38(33)29(2,3)4)18-15-25-13-14-28(34-6)26(23-25)17-22-39(9,10)11/h13-14,16,19-21,23-24H,12,15,17-18,22H2,1-11H3/t30-,38?/m1/s1
InChI key： CKDMBFIARYEURG-VNNZMUOVSA-N
SMILES： CCOC=CC1=CC(OC)(OC)C=C[C@@]1(CCc1ccc(OC)c(CC[Si](C)(C)C)c1)N(C)S(=O)C(C)(C)C
Systematic name  (3)：
  • (4R)-3-(2-エトキシエテニル)-4α-[tert-ブチルスルフィニル(メチル)アミノ]-4-[3-[2-(トリメチルシリル)エチル]-4-メトキシフェネチル]-2,5-シクロヘキサジエン-1-オンジメチルアセタール
  • N-[(1R)-2-(2-エトキシエテニル)-4,4-ジメトキシ-1-(2-{4-メトキシ-3-[2-(トリメチルシリル)エチル]フェニル}エチル)シクロヘキサ-2,5-ジエン-1-イル]-N,2-ジメチルプロパン-2-スルフィンアミド
  • N-[(1R)-2-(2-ethoxyethenyl)-4,4-dimethoxy-1-(2-{4-methoxy-3-[2-(trimethylsilyl)ethyl]phenyl}ethyl)cyclohexa-2,5-dien-1-yl]-N,2-dimethylpropane-2-sulfinamide
Other name (1)：
  • (4R)-3-(2-Ethoxyethenyl)-4α-[tert-butylsulfinyl(methyl)amino]-4-[3-[2-(trimethylsilyl)ethyl]-4-methoxyphenethyl]-2,5-cyclohexadiene-1-one dimethyl acetal
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