Chem
J-GLOBAL ID:201207097995642068   Nikkaji number:J3.114.913D

Tetrakisbenzoic acid (4R,5R,8S,9S,12S,13S,16S,17S)-4,8,13,17-tetramethyl-5,8:9,12:13,16-trisepoxyicosane-1,4,17,20-tetrayl ester

テトラキス安息香酸(4R,5R,8S,9S,12S,13S,16S,17S)-4,8,13,17-テトラメチル-5,8:9,12:13,16-トリスエポキシイコサン-1,4,17,20-テトライル
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: C52H60O11
Molecular formula furigana: C52-H60-O11
Molecular weight: 861.041
InChI: InChI=1S/C52H60O11/c1-49(62-47(55)39-23-13-7-14-24-39,31-17-35-57-45(53)37-19-9-5-10-20-37)43-29-33-51(3,60-43)41-27-28-42(59-41)52(4)34-30-44(61-52)50(2,63-48(56)40-25-15-8-16-26-40)32-18-36-58-46(54)38-21-11-6-12-22-38/h5-16,19-26,41-44H,17-18,27-36H2,1-4H3/t41-,42-,43-,44+,49-,50+,51-,52-/m0/s1
InChI key: RACQQUALDFHKPT-XGQPFBAWSA-N
SMILES: C[C@@](CCCOC(=O)c1ccccc1)(OC(=O)c1ccccc1)[C@@H]1CC[C@](C)(O1)[C@@H]1CC[C@H](O1)[C@]1(C)CC[C@@H](O1)[C@@](C)(CCCOC(=O)c1ccccc1)OC(=O)c1ccccc1
Systematic name  (3):
  • テトラキス安息香酸(4R,5R,8S,9S,12S,13S,16S,17S)-4,8,13,17-テトラメチル-5,8:9,12:13,16-トリスエポキシイコサン-1,4,17,20-テトライル
  • (4S)-4-(ベンゾイルオキシ)-4-[(2S,5S)-5-[(2S,2'S,5S,5'R)-5'-[(2R)-2,5-ビス(ベンゾイルオキシ)ペンタン-2-イル]-2'-メチル-[2,2'-ビオキソラン]-5-イル]-5-メチルオキソラン-2-イル]ペンチル ベンゾアート
  • (4S)-4-(benzoyloxy)-4-[(2S,5S)-5-[(2S,2'S,5S,5'R)-5'-[(2R)-2,5-bis(benzoyloxy)pentan-2-yl]-2'-methyl-[2,2'-bioxolan]-5-yl]-5-methyloxolan-2-yl]pentyl benzoate
Other name (1):
  • Tetrakisbenzoic acid (4R,5R,8S,9S,12S,13S,16S,17S)-4,8,13,17-tetramethyl-5,8:9,12:13,16-trisepoxyicosane-1,4,17,20-tetrayl ester
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