Chem
J-GLOBAL ID：200907061307695080   Nikkaji number：J2.373.936D

3-Benzyl-5α-[(Z)-1-bromo-2-phenylvinyl]-1′,3′-dimethyl-4′β,5′α-diphenylspiro[oxazolidine-2,2′-imidazolidine]-4β-carboxylic acid tert-butyl ester

3-ベンジル-5α-[(Z)-1-ブロモ-2-フェニルビニル]-1′,3′-ジメチル-4′β,5′α-ジフェニルスピロ[オキサゾリジン-2,2′-イミダゾリジン]-4β-カルボン酸tert-ブチル
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： C39H42BrN3O3
Molecular formula furigana： C39-H42-BR-N3-O3
Molecular weight： 680.687
InChI： InChI=1S/C39H42BrN3O3/c1-38(2,3)46-37(44)35-36(32(40)26-28-18-10-6-11-19-28)45-39(43(35)27-29-20-12-7-13-21-29)41(4)33(30-22-14-8-15-23-30)34(42(39)5)31-24-16-9-17-25-31/h6-26,33-36H,27H2,1-5H3/b32-26-/t33-,34-,35+,36-/m0/s1
InChI key： MYUIKSUBXJLLST-XFCCNRJJSA-N
SMILES： CN1[C@H]([C@@H](N(C)C21O[C@H]([C@@H](N2Cc1ccccc1)C(=O)OC(C)(C)C)/C(=C/c1ccccc1)/Br)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 3-ベンジル-5α-[(Z)-1-ブロモ-2-フェニルビニル]-1′,3′-ジメチル-4′β,5′α-ジフェニルスピロ[オキサゾリジン-2,2′-イミダゾリジン]-4β-カルボン酸tert-ブチル
  • tert-ブチル (2R,3R,7S,8S)-4-ベンジル-2-[(1Z)-1-ブロモ-2-フェニルエテニル]-6,9-ジメチル-7,8-ジフェニル-1-オキサ-4,6,9-トリアザスピロ[4.4]ノナン-3-カルボキシラート
  • tert-butyl (2R,3R,7S,8S)-4-benzyl-2-[(1Z)-1-bromo-2-phenylethenyl]-6,9-dimethyl-7,8-diphenyl-1-oxa-4,6,9-triazaspiro[4.4]nonane-3-carboxylate
Other name (1)：
  • 3-Benzyl-5α-[(Z)-1-bromo-2-phenylvinyl]-1′,3′-dimethyl-4′β,5′α-diphenylspiro[oxazolidine-2,2′-imidazolidine]-4β-carboxylic acid tert-butyl ester
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