Chem
J-GLOBAL ID:200907051488376458   Nikkaji number:J2.615.613K

(4S)-2,2-Dimethyl-3-(benzyloxycarbonyl)-4α-(bromomethyl)-5β-[1-(4-methylphenylthio)-3-pentadecenyl]oxazolidine

(4S)-2,2-ジメチル-3-(ベンジルオキシカルボニル)-4α-(ブロモメチル)-5β-[1-(4-メチルフェニルチオ)-3-ペンタデセニル]オキサゾリジン
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: C36H52BrNO3S
Molecular formula furigana: C36-H52-BR-N-O3-S
Molecular weight: 658.780
InChI: InChI=1S/C36H52BrNO3S/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-33(42-31-25-23-29(2)24-26-31)34-32(27-37)38(36(3,4)41-34)35(39)40-28-30-20-17-16-18-21-30/h15-21,23-26,32-34H,5-14,22,27-28H2,1-4H3/t32-,33?,34+/m1/s1
InChI key: UJCJOGMXSQGDBD-FVQYSQFWSA-N
SMILES: CCCCCCCCCCCC=CCC(Sc1ccc(C)cc1)[C@H]1OC(C)(C)N([C@@H]1CBr)C(=O)OCc1ccccc1
Systematic name  (3):
  • (4S)-2,2-ジメチル-3-(ベンジルオキシカルボニル)-4α-(ブロモメチル)-5β-[1-(4-メチルフェニルチオ)-3-ペンタデセニル]オキサゾリジン
  • ベンジル (4S,5S)-4-(ブロモメチル)-2,2-ジメチル-5-{1-[(4-メチルフェニル)スルファニル]ペンタデカ-3-エン-1-イル}-1,3-オキサゾリジン-3-カルボキシラート
  • benzyl (4S,5S)-4-(bromomethyl)-2,2-dimethyl-5-{1-[(4-methylphenyl)sulfanyl]pentadec-3-en-1-yl}-1,3-oxazolidine-3-carboxylate
Other name (1):
  • (4S)-2,2-Dimethyl-3-(benzyloxycarbonyl)-4α-(bromomethyl)-5β-[1-(4-methylphenylthio)-3-pentadecenyl]oxazolidine
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