Chem
J-GLOBAL ID:201107096881454950
Nikkaji number:J2.995.519K
(4R)-3-Bromo-4α-[tert-butylsulfinyl(methyl)amino]-4-(3,4-dimethoxyphenethyl)-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-(3,4-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
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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:
C23 H34 BrNO5 S
Molecular formula furigana:
C23-H34-BR-N-O5-S
Molecular weight:
516.490
InChI:
InChI=1S/C23H34BrNO5S/c1-21(2,3)31(26)25(4)22(13-14-23(29-7,30-8)16-20(22)24)12-11-17-9-10-18(27-5)19(15-17)28-6/h9-10,13-16H,11-12H2,1-8H3/t22-,31?/m1/s1
InChI key:
BLJJOPWHDMQPFY-HJZHLRNFSA-N
SMILES:
COc1ccc(CC[C@]2(C=CC(OC)(OC)C=C2Br)N(C)S(=O)C(C)(C)C)cc1OC
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-(3,4-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)-2-ブロモ-1-[2-(3,4-ジメトキシフェニル)エチル]-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)-2-bromo-1-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethoxycyclohexa-2,5-dien-1-yl]-N,2-dimethylpropane-2-sulfinamide
Other name (1):
(4R)-3-Bromo-4α-[tert-butylsulfinyl(methyl)amino]-4-(3,4-dimethoxyphenethyl)-2,5-cyclohexadiene-1-one dimethyl acetal
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