Chem
J-GLOBAL ID：200907059663178533   Nikkaji number：J1.763.235C

3β-(tert-Butyldimethylsiloxy)-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pregna-5,20-diene

3β-(tert-ブチルジメチルシロキシ)-20-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)プレグナ-5,20-ジエン
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： C33H57BO3Si
Molecular formula furigana： C33-H57-B-O3-SI
Molecular weight： 540.710
InChI： InChI=1S/C33H57BO3Si/c1-22(34-36-30(5,6)31(7,8)37-34)26-15-16-27-25-14-13-23-21-24(35-38(11,12)29(2,3)4)17-19-32(23,9)28(25)18-20-33(26,27)10/h13,24-28H,1,14-21H2,2-12H3/t24-,25-,26+,27-,28-,32-,33+/m0/s1
InChI key： NJITVSIDNABECY-YMUJYIEQSA-N
SMILES： CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=C)B4OC(C)(C)C(C)(C)O4)[C@@H]3CC=C2C1
Systematic name  (3)：
  • 3β-(tert-ブチルジメチルシロキシ)-20-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)プレグナ-5,20-ジエン
  • {[(1R,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-ジメチル-1-[1-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)エテニル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}(tert-ブチル)ジメチルシラン
  • {[(1R,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}(tert-butyl)dimethylsilane
Other name (1)：
  • 3β-(tert-Butyldimethylsiloxy)-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pregna-5,20-diene
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