Chem
J-GLOBAL ID：200907031345200862   Nikkaji number：J1.464.486E

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

(13S,14R,17S,20S)-1α,3-ビス(tert-ブチルジメチルシロキシ)-25-(トリエチルシロキシ)-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： C45H86O3Si3
Molecular formula furigana： C45-H86-O3-SI3
Molecular weight： 759.435
InChI： InChI=1S/C45H86O3Si3/c1-19-51(20-2,21-3)48-44(12,13)30-22-24-34(4)39-28-29-40-36(25-23-31-45(39,40)14)26-27-37-32-38(46-49(15,16)42(6,7)8)33-41(35(37)5)47-50(17,18)43(9,10)11/h26-27,34,38-41H,5,19-25,28-33H2,1-4,6-18H3/b36-26+,37-27-/t34-,38+,39-,40+,41-,45-/m0/s1
InChI key： ASPPZJGIZUQEEH-QUWKZHCESA-N
SMILES： CC[Si](CC)(CC)OC(C)(C)CCC[C@H](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-(トリエチルシロキシ)-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-(トリエチルシロキシ)-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]オキシ}トリエチルシラン
  • {[(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]oxy}triethylsilane
Other name (2)：
  • (13S,14R,17S,20S)-1α-(tert-Butyldimethylsiloxy)-3-(tert-butyldimethylsiloxy)-25-(triethylsiloxy)-3-deoxycholecalciferol
  • (13S,14R,17S,20S)-1α,3-Bis(tert-butyldimethylsiloxy)-25-(triethylsiloxy)-3-deoxycholecalciferol
Thsaurus map：
Thesaurus Map

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