Chem
J-GLOBAL ID:200907001565511803   Nikkaji number:J2.110.211C

2-[2-(Phenylsulfonyl)ethyl]-2-[[(1R)-1-(phenylethynyl)-2β-(phenylsulfonyloxy)cycloheptane-1α-yl]methyl]-1,3-dioxolane

(1S,2R)-2-({2-[2-(ベンゼンスルホニル)エチル]-1,3-ジオキソラン-2-イル}メチル)-2-(2-フェニルエチニル)シクロヘプチル ベンゼンスルホナート
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: C33H36O7S2
Molecular formula furigana: C33-H36-O7-S2
Molecular weight: 608.760
InChI: InChI=1S/C33H36O7S2/c34-41(35,29-15-7-2-8-16-29)26-23-33(38-24-25-39-33)27-32(22-20-28-13-5-1-6-14-28)21-12-4-11-19-31(32)40-42(36,37)30-17-9-3-10-18-30/h1-3,5-10,13-18,31H,4,11-12,19,21,23-27H2/t31-,32-/m0/s1
InChI key: SCMQWSIKTSIRCD-ACHIHNKUSA-N
SMILES: O=S(=O)(CCC1(C[C@]2(CCCCC[C@@H]2OS(=O)(=O)c2ccccc2)C#Cc2ccccc2)OCCO1)c1ccccc1
Systematic name  (3):
  • 2-[2-(フェニルスルホニル)エチル]-2-[[(1R)-1-(フェニルエチニル)-2β-(フェニルスルホニルオキシ)シクロヘプタン-1α-イル]メチル]-1,3-ジオキソラン
  • (1S,2R)-2-({2-[2-(ベンゼンスルホニル)エチル]-1,3-ジオキソラン-2-イル}メチル)-2-(2-フェニルエチニル)シクロヘプチル ベンゼンスルホナート
  • (1S,2R)-2-({2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolan-2-yl}methyl)-2-(2-phenylethynyl)cycloheptyl benzenesulfonate
Other name (1):
  • 2-[2-(Phenylsulfonyl)ethyl]-2-[[(1R)-1-(phenylethynyl)-2β-(phenylsulfonyloxy)cycloheptane-1α-yl]methyl]-1,3-dioxolane
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