Chem
J-GLOBAL ID：200907091030878669   Nikkaji number：J1.464.485G

Acetic acid 1-[(1S,3aβ)-1α-[(1S)-1,5-dimethyl-5-acetoxyhexyl]-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-アセトキシヘキシル]-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： C49H82O8SSi2
Molecular formula furigana： C49-H82-O8-S-SI2
Molecular weight： 887.420
InChI： InChI=1S/C49H82O8SSi2/c1-34(23-21-28-47(11,12)55-37(4)51)41-26-27-43-48(41,13)29-22-30-49(43,58(52,53)40-24-19-18-20-25-40)44(54-36(3)50)32-38-31-39(56-59(14,15)45(5,6)7)33-42(35(38)2)57-60(16,17)46(8,9)10/h18-20,24-25,32,34,39,41-44H,2,21-23,26-31,33H2,1,3-17H3/t34-,39?,41-,42-,43-,44?,48-,49?/m0/s1
InChI key： HCAJQBAFRWCLQN-ZUODGIJJSA-N
SMILES： C[C@@H](CCCC(C)(C)OC(=O)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-アセトキシヘキシル]-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
  • (6S)-6-[(1S,3aS,7aS)-4-[1-(アセチルオキシ)-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]-4-(ベンゼンスルホニル)-7a-メチル-オクタヒドロ-1H-インデン-1-イル]-2-メチルヘプタン-2-イル アセタート
  • (6S)-6-[(1S,3aS,7aS)-4-[1-(acetyloxy)-2-[(3S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2-methylidenecyclohexylidene]ethyl]-4-(benzenesulfonyl)-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptan-2-yl acetate
Other name (1)：
  • Acetic acid 1-[(1S,3aβ)-1α-[(1S)-1,5-dimethyl-5-acetoxyhexyl]-4-(phenylsulfonyl)7aα-methylhydrindane-4-yl]-2-[(1Z,3S)-2-methylene-3β,5α-bis(tert-butyldimethylsiloxy)cyclohexylidene]ethyl ester
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