Chem
J-GLOBAL ID：200907012733000285   Nikkaji number：J1.464.484I

Acetic acid 1-[(1S,3aβ)-1α-[(1S)-1,5-dimethyl-5-(triethylsiloxy)hexyl]-4-(phenylsulfonyl)7aα-methylhydrindane-4-yl]-2-[(1Z,3S)-2-methylene-3β,5α-bis(tert-butyldimethylsiloxy)cyclohexylidene]ethyl ester

酢酸1-[(1S,3aβ)-1α-[(1S)-1,5-ジメチル-5-(トリエチルシロキシ)ヘキシル]-4-(フェニルスルホニル)7aα-メチルヒドリンダン-4-イル]-2-[(1Z,3S)-2-メチレン-3β,5α-ビス(tert-ブチルジメチルシロキシ)シクロヘキシリデン]エチル
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： C53H94O7SSi3
Molecular formula furigana： C53-H94-O7-S-SI3
Molecular weight： 959.640
InChI： InChI=1S/C53H94O7SSi3/c1-20-64(21-2,22-3)60-51(13,14)33-26-28-39(4)45-31-32-47-52(45,15)34-27-35-53(47,61(55,56)44-29-24-23-25-30-44)48(57-41(6)54)37-42-36-43(58-62(16,17)49(7,8)9)38-46(40(42)5)59-63(18,19)50(10,11)12/h23-25,29-30,37,39,43,45-48H,5,20-22,26-28,31-36,38H2,1-4,6-19H3/t39-,43?,45-,46-,47-,48?,52-,53?/m0/s1
InChI key： HJWHYADWVHCSGI-QMQILPHKSA-N
SMILES： CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@]1(C)CCCC2(C(OC(=O)C)/C=C\1/CC(C[C@H](O[Si](C)(C)C(C)(C)C)C1=C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
Systematic name  (3)：
  • 酢酸1-[(1S,3aβ)-1α-[(1S)-1,5-ジメチル-5-(トリエチルシロキシ)ヘキシル]-4-(フェニルスルホニル)7aα-メチルヒドリンダン-4-イル]-2-[(1Z,3S)-2-メチレン-3β,5α-ビス(tert-ブチルジメチルシロキシ)シクロヘキシリデン]エチル
  • 1-[(1S,3aS,7aS)-4-(ベンゼンスルホニル)-7a-メチル-1-[(2S)-6-メチル-6-[(トリエチルシリル)オキシ]ヘプタン-2-イル]-オクタヒドロ-1H-インデン-4-イル]-2-[(3S,5R)-3,5-ビス[(tert-ブチルジメチルシリル)オキシ]-2-メチリデンシクロヘキシリデン]エチル アセタート
  • 1-[(1S,3aS,7aS)-4-(benzenesulfonyl)-7a-methyl-1-[(2S)-6-methyl-6-[(triethylsilyl)oxy]heptan-2-yl]-octahydro-1H-inden-4-yl]-2-[(3S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2-methylidenecyclohexylidene]ethyl acetate
Other name (1)：
  • Acetic acid 1-[(1S,3aβ)-1α-[(1S)-1,5-dimethyl-5-(triethylsiloxy)hexyl]-4-(phenylsulfonyl)7aα-methylhydrindane-4-yl]-2-[(1Z,3S)-2-methylene-3β,5α-bis(tert-butyldimethylsiloxy)cyclohexylidene]ethyl ester
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