Chem
J-GLOBAL ID:200907084517608679   Nikkaji number:J1.464.477F

(αS,1S,3aβ)-α-[4-Methyl-4-(triethylsiloxy)pentyl]-4β-(phenylsulfonyl)-7aα-methylhydrindane-1α-acetic acid

(αS,1S,3aβ)-α-[4-メチル-4-(トリエチルシロキシ)ペンチル]-4β-(フェニルスルホニル)-7aα-メチルヒドリンダン-1α-酢酸
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: C30H50O5SSi
Molecular formula furigana: C30-H50-O5-S-SI
Molecular weight: 550.870
InChI: InChI=1S/C30H50O5SSi/c1-7-37(8-2,9-3)35-29(4,5)21-13-17-24(28(31)32)25-19-20-26-27(18-14-22-30(25,26)6)36(33,34)23-15-11-10-12-16-23/h10-12,15-16,24-27H,7-9,13-14,17-22H2,1-6H3,(H,31,32)/t24-,25-,26+,27-,30-/m0/s1
InChI key: IOLAFAHARSYNFU-MOWXUVRXSA-N
SMILES: CC[Si](CC)(CC)OC(C)(C)CCC[C@@H]([C@@H]1CC[C@@H]2[C@H](CCC[C@@]12C)S(=O)(=O)c1ccccc1)C(=O)O
Systematic name  (3):
  • (αS,1S,3aβ)-α-[4-メチル-4-(トリエチルシロキシ)ペンチル]-4β-(フェニルスルホニル)-7aα-メチルヒドリンダン-1α-酢酸
  • (2S)-2-[(1S,3aS,4S,7aS)-4-(ベンゼンスルホニル)-7a-メチル-オクタヒドロ-1H-インデン-1-イル]-6-メチル-6-[(トリエチルシリル)オキシ]ヘプタン酸
  • (2S)-2-[(1S,3aS,4S,7aS)-4-(benzenesulfonyl)-7a-methyl-octahydro-1H-inden-1-yl]-6-methyl-6-[(triethylsilyl)oxy]heptanoic acid
Other name (1):
  • (αS,1S,3aβ)-α-[4-Methyl-4-(triethylsiloxy)pentyl]-4β-(phenylsulfonyl)-7aα-methylhydrindane-1α-acetic acid
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