Chem
J-GLOBAL ID：201107099620379225   Nikkaji number：J2.995.521B

(4R)-3-(2-Ethoxyethenyl)-4α-[tert-butylsulfinyl(methyl)amino]-4-(3,4-dimethoxyphenethyl)-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-(3,4-ジ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： C27H41NO6S
Molecular formula furigana： C27-H41-N-O6-S
Molecular weight： 507.690
InChI： InChI=1S/C27H41NO6S/c1-10-34-18-14-22-20-27(32-8,33-9)17-16-26(22,28(5)35(29)25(2,3)4)15-13-21-11-12-23(30-6)24(19-21)31-7/h11-12,14,16-20H,10,13,15H2,1-9H3/t26-,35?/m1/s1
InChI key： BWMNDURESQIYLV-NAVQMUAQSA-N
SMILES： CCOC=CC1=CC(OC)(OC)C=C[C@@]1(CCc1ccc(OC)c(OC)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-(3,4-ジ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)-1-[2-(3,4-ジメトキシフェニル)エチル]-2-(2-エトキシエテニル)-4,4-ジメトキシシクロヘキサ-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)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyethenyl)-4,4-dimethoxycyclohexa-2,5-dien-1-yl]-N,2-dimethylpropane-2-sulfinamide
Other name (1)：
  • (4R)-3-(2-Ethoxyethenyl)-4α-[tert-butylsulfinyl(methyl)amino]-4-(3,4-dimethoxyphenethyl)-2,5-cyclohexadiene-1-one dimethyl acetal
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