Chem
J-GLOBAL ID:200907003913707191   Nikkaji number:J2.043.129F

17β-(tert-Butyldiphenylsiloxy)estra-1,3,5(10)-triene-3-methanesulfonic acid pentyl ester

17β-(tert-ブチルジフェニルシロキシ)エストラ-1,3,5(10)-トリエン-3-メタンスルホン酸ペンチル
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: C40H54O4SSi
Molecular formula furigana: C40-H54-O4-S-SI
Molecular weight: 659.010
InChI: InChI=1S/C40H54O4SSi/c1-6-7-14-27-43-45(41,42)29-30-19-21-34-31(28-30)20-22-36-35(34)25-26-40(5)37(36)23-24-38(40)44-46(39(2,3)4,32-15-10-8-11-16-32)33-17-12-9-13-18-33/h8-13,15-19,21,28,35-38H,6-7,14,20,22-27,29H2,1-5H3/t35-,36-,37+,38+,40+/m1/s1
InChI key: OCGMXZFHRYMRJB-NTDIBZEKSA-N
SMILES: CCCCCOS(=O)(=O)Cc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Systematic name  (3):
  • 17β-(tert-ブチルジフェニルシロキシ)エストラ-1,3,5(10)-トリエン-3-メタンスルホン酸ペンチル
  • ペンチル [(1S,3aS,3bR,9bS,11aS)-1-[(tert-ブチルジフェニルシリル)オキシ]-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]メタンスルホナート
  • pentyl [(1S,3aS,3bR,9bS,11aS)-1-[(tert-butyldiphenylsilyl)oxy]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]methanesulfonate
Other name (1):
  • 17β-(tert-Butyldiphenylsiloxy)estra-1,3,5(10)-triene-3-methanesulfonic acid pentyl ester
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