Chem
J-GLOBAL ID：200907052047925398   Nikkaji number：J880.125H

(3aS)-1,1-Dimethyl-4,6-bis(tert-butyldimethylsiloxy)-6α-(methylthiomethyl)-1,3aβ,4,6,7,7aβ-hexahydro-4α,7α-etheno-5H-inden-5-one

(3aS)-1,1-ジメチル-4,6-ビス(tert-ブチルジメチルシロキシ)-6α-(メチルチオメチル)-1,3aβ,4,6,7,7aβ-ヘキサヒドロ-4α,7α-エテノ-5H-インデン-5-オン
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： C27H48O3SSi2
Molecular formula furigana： C27-H48-O3-S-SI2
Molecular weight： 508.910
InChI： InChI=1S/C27H48O3SSi2/c1-23(2,3)32(10,11)29-26-17-15-20(21-19(26)14-16-25(21,7)8)27(18-31-9,22(26)28)30-33(12,13)24(4,5)6/h14-17,19-21H,18H2,1-13H3/t19-,20+,21+,26+,27-/m0/s1
InChI key： IWNUWQWUSVRKBT-YZNATHFASA-N
SMILES： CSC[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H]2C=C[C@@](O[Si](C)(C)C(C)(C)C)([C@H]3C=CC(C)(C)[C@@H]23)C1=O
Systematic name  (3)：
  • (3aS)-1,1-ジメチル-4,6-ビス(tert-ブチルジメチルシロキシ)-6α-(メチルチオメチル)-1,3aβ,4,6,7,7aβ-ヘキサヒドロ-4α,7α-エテノ-5H-インデン-5-オン
  • (1R,2R,6S,7R,9S)-7,9-ビス[(tert-ブチルジメチルシリル)オキシ]-3,3-ジメチル-9-[(メチルスルファニル)メチル]トリシクロ[5.2.2.02,6]ウンデカ-4,10-ジエン-8-オン
  • (1R,2R,6S,7R,9S)-7,9-bis[(tert-butyldimethylsilyl)oxy]-3,3-dimethyl-9-[(methylsulfanyl)methyl]tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
Other name (1)：
  • (3aS)-1,1-Dimethyl-4,6-bis(tert-butyldimethylsiloxy)-6α-(methylthiomethyl)-1,3aβ,4,6,7,7aβ-hexahydro-4α,7α-etheno-5H-inden-5-one
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