Chem
J-GLOBAL ID：201207070550162397   Nikkaji number：J3.081.372C

(1S)-1α-Benzyl-2-tosyl-6-phenyl-10bα-(benzyloxy)-8,9-[1,3]butadieno-1,2,3,4,5,10b-hexahydroindeno[1,2-c]azepine

(1S)-1α-ベンジル-2-トシル-6-フェニル-10bα-(ベンジルオキシ)-8,9-[1,3]ブタジエノ-1,2,3,4,5,10b-ヘキサヒドロインデノ[1,2-c]アゼピン
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： C44H39NO3S
Molecular formula furigana： C44-H39-N-O3-S
Molecular weight： 661.860
InChI： InChI=1S/C44H39NO3S/c1-32-23-25-38(26-24-32)49(46,47)45-27-13-22-40-43(35-18-9-4-10-19-35)39-29-36-20-11-12-21-37(36)30-41(39)44(40,48-31-34-16-7-3-8-17-34)42(45)28-33-14-5-2-6-15-33/h2-12,14-21,23-26,29-30,42H,13,22,27-28,31H2,1H3/t42-,44+/m0/s1
InChI key： RLBFDWAERYUKHF-KOHORPAVSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)N1CCCC2=C(c3cc4ccccc4cc3[C@@]2(OCc2ccccc2)[C@@H]1Cc1ccccc1)c1ccccc1
Systematic name  (3)：
  • (1S)-1α-ベンジル-2-トシル-6-フェニル-10bα-(ベンジルオキシ)-8,9-[1,3]ブタジエノ-1,2,3,4,5,10b-ヘキサヒドロインデノ[1,2-c]アゼピン
  • (2R,3S)-3-ベンジル-2-(ベンジルオキシ)-4-(4-メチルベンゼンスルホニル)-9-フェニル-4-アザテトラシクロ[8.8.0.02,8.012,17]オクタデカ-1(10),8,11,13,15,17-ヘキサエン
  • (2R,3S)-3-benzyl-2-(benzyloxy)-4-(4-methylbenzenesulfonyl)-9-phenyl-4-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,13,15,17-hexaene
Other name (1)：
  • (1S)-1α-Benzyl-2-tosyl-6-phenyl-10bα-(benzyloxy)-8,9-[1,3]butadieno-1,2,3,4,5,10b-hexahydroindeno[1,2-c]azepine
Thsaurus map：
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