Chem
J-GLOBAL ID：200907098776729450   Nikkaji number：J1.464.478D

(13S,14R,17S,20S)-1α,3-Bis(tert-butyldimethylsiloxy)-25-acetoxy-3-deoxycholecalciferol

(13S,14R,17S,20S)-1α,3-ビス(tert-ブチルジメチルシロキシ)-25-アセトキシ-3-デオキシコレカルシフェロール
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： C41H74O4Si2
Molecular formula furigana： C41-H74-O4-SI2
Molecular weight： 687.209
InChI： InChI=1S/C41H74O4Si2/c1-29(19-17-25-40(10,11)43-31(3)42)35-23-24-36-32(20-18-26-41(35,36)12)21-22-33-27-34(44-46(13,14)38(4,5)6)28-37(30(33)2)45-47(15,16)39(7,8)9/h21-22,29,34-37H,2,17-20,23-28H2,1,3-16H3/b32-21+,33-22-/t29-,34+,35-,36+,37-,41-/m0/s1
InChI key： FEJOIIQGBJOJQH-HDTQWRSMSA-N
SMILES： C[C@@H](CCCC(C)(C)OC(=O)C)[C@@H]1CC[C@@H]2/C(=C/C=C\3/C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C3=C)O[Si](C)(C)C(C)(C)C)/CCC[C@@]12C
Systematic name  (4)：
  • (13S,14R,17S,20S)-1α-(tert-ブチルジメチルシロキシ)-3-(tert-ブチルジメチルシロキシ)-25-アセトキシ-3-デオキシコレカルシフェロール
  • (13S,14R,17S,20S)-1α,3-ビス(tert-ブチルジメチルシロキシ)-25-アセトキシ-3-デオキシコレカルシフェロール
  • (6S)-6-[(1S,3aR,4E,7aS)-4-{2-[(1Z,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]エチリデン}-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,3aR,4E,7aS)-4-{2-[(1Z,3S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptan-2-yl acetate
Other name (2)：
  • (13S,14R,17S,20S)-1α-(tert-Butyldimethylsiloxy)-3-(tert-butyldimethylsiloxy)-25-acetoxy-3-deoxycholecalciferol
  • (13S,14R,17S,20S)-1α,3-Bis(tert-butyldimethylsiloxy)-25-acetoxy-3-deoxycholecalciferol
Thsaurus map：
Thesaurus Map

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