Chem
J-GLOBAL ID：201107053028654671   Nikkaji number：J2.995.520D

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

(4R)-3-ブロモ-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： C27H44BrNO4SSi
Molecular formula furigana： C27-H44-BR-N-O4-S-SI
Molecular weight： 586.700
InChI： InChI=1S/C27H44BrNO4SSi/c1-25(2,3)34(30)29(4)26(16-17-27(32-6,33-7)20-24(26)28)15-13-21-11-12-23(31-5)22(19-21)14-18-35(8,9)10/h11-12,16-17,19-20H,13-15,18H2,1-10H3/t26-,34?/m1/s1
InChI key： NCSFVWOLUDOCGS-URAFEBPUSA-N
SMILES： COc1ccc(CC[C@]2(C=CC(OC)(OC)C=C2Br)N(C)S(=O)C(C)(C)C)cc1CC[Si](C)(C)C
Systematic name  (3)：
  • (4R)-3-ブロモ-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-ブロモ-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-bromo-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-Bromo-4α-[tert-butylsulfinyl(methyl)amino]-4-[3-[2-(trimethylsilyl)ethyl]-4-methoxyphenethyl]-2,5-cyclohexadiene-1-one dimethyl acetal
Thsaurus map：
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