Chem
J-GLOBAL ID：200907033622634967
Nikkaji number：J1.931.993H
(R)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-2-[(R)-4-methylbenzhydryl]-4-methyl-4-pentene-1-one
(R)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-2-[(R)-4-メチルベンズヒドリル]-4-メチル-4-ペンテン-1-オン
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
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
Molecular formula： C31H31NO2S
Molecular formula furigana： C31-H31-N-O2-S
Molecular weight： 481.650
InChI：
InChI=1S/C31H31NO2S/c1-22(2)21-28(30(25-9-6-5-7-10-25)26-16-12-23(3)13-17-26)31(33)32-20-8-11-29(32)35(34)27-18-14-24(4)15-19-27/h5-20,28,30H,1,21H2,2-4H3/t28-,30-,35?/m1/s1
InChI key：
KXIFLFGWBQYMPW-NFTLUBAESA-N
SMILES：
CC(=C)C[C@H]([C@H](c1ccccc1)c1ccc(C)cc1)C(=O)n1cccc1S(=O)c1ccc(C)cc1
Systematic name (3)：
- (R)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-2-[(R)-4-メチルベンズヒドリル]-4-メチル-4-ペンテン-1-オン
- (2R)-4-メチル-1-[2-(4-メチルベンゼンスルフィニル)-1H-ピロール-1-イル]-2-[(R)-(4-メチルフェニル)(フェニル)メチル]ペンタ-4-エン-1-オン
- (2R)-4-methyl-1-[2-(4-methylbenzenesulfinyl)-1H-pyrrol-1-yl]-2-[(R)-(4-methylphenyl)(phenyl)methyl]pent-4-en-1-one
- (R)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-2-[(R)-4-methylbenzhydryl]-4-methyl-4-pentene-1-one
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