Chem
J-GLOBAL ID:200907010861508361   Nikkaji number:J1.774.601D

(3R,5R,9S)-1-(Trimethylsilyl)-3,9-bis(tert-butyldimethylsiloxy)-10-[(4R)-2,2-dimethyl-6β-[(2R,4R)-2,4,5-tris(tert-butyldimethylsiloxy)pentyl]-1,3-dioxane-4β-yl]-1,7-decadiyne-5-ol

(3R,5R,9S)-1-(トリメチルシリル)-3,9-ビス(tert-ブチルジメチルシロキシ)-10-[(4R)-2,2-ジメチル-6β-[(2R,4R)-2,4,5-トリス(tert-ブチルジメチルシロキシ)ペンチル]-1,3-ジオキサン-4β-イル]-1,7-デカジイン-5-オール
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: C54H112O8Si6
Molecular formula furigana: C54-H112-O8-SI6
Molecular weight: 1057.992
InChI: InChI=1S/C54H112O8Si6/c1-49(2,3)64(21,22)56-41-48(62-68(29,30)53(13,14)15)40-47(61-67(27,28)52(10,11)12)39-46-38-45(57-54(16,17)58-46)37-43(59-65(23,24)50(4,5)6)33-31-32-42(55)36-44(34-35-63(18,19)20)60-66(25,26)51(7,8)9/h42-48,55H,32,36-41H2,1-30H3/t42-,43-,44+,45+,46+,47-,48-/m1/s1
InChI key: CTOCRGFQRRGJAT-YLFSQKKGSA-N
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H](C[C@@H](C[C@@H]1C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C#CC[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C#C[Si](C)(C)C)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
Systematic name  (3):
  • (3R,5R,9S)-1-(トリメチルシリル)-3,9-ビス(tert-ブチルジメチルシロキシ)-10-[(4R)-2,2-ジメチル-6β-[(2R,4R)-2,4,5-トリス(tert-ブチルジメチルシロキシ)ペンチル]-1,3-ジオキサン-4β-イル]-1,7-デカジイン-5-オール
  • (5R,7R,11S)-11-{[(4R,6S)-2,2-ジメチル-6-[(2R,4R)-2,4,5-トリス[(tert-ブチルジメチルシリル)オキシ]ペンチル]-1,3-ジオキサン-4-イル]メチル}-2,2,3,3,13,13,14,14-オクタメチル-5-[2-(トリメチルシリル)エチニル]-4,12-ジオキサ-3,13-ジシラペンタデカ-9-イン-7-オール
  • (5R,7R,11S)-11-{[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[(tert-butyldimethylsilyl)oxy]pentyl]-1,3-dioxan-4-yl]methyl}-2,2,3,3,13,13,14,14-octamethyl-5-[2-(trimethylsilyl)ethynyl]-4,12-dioxa-3,13-disilapentadec-9-yn-7-ol
Other name (1):
  • (3R,5R,9S)-1-(Trimethylsilyl)-3,9-bis(tert-butyldimethylsiloxy)-10-[(4R)-2,2-dimethyl-6β-[(2R,4R)-2,4,5-tris(tert-butyldimethylsiloxy)pentyl]-1,3-dioxane-4β-yl]-1,7-decadiyne-5-ol
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