Chem
J-GLOBAL ID：201707012931152794   Nikkaji number：J3.625.141G

Pivalic acid ((3S,6R,7S)-3-hydroxy-6,7-di(benzoyloxy)-8-((S)-2,2-dimethyl-1,3-dioxolane-4-yl)-4-octyne-1-yl) ester

ピバル酸((3S,6R,7S)-3-ヒドロキシ-6,7-ジ(ベンゾイルオキシ)-8-((S)-2,2-ジメチル-1,3-ジオキソラン-4-イル)-4-オクチン-1-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： C32H38O9
Molecular formula furigana： C32-H38-O9
Molecular weight： 566.647
InChI： InChI=1S/C32H38O9/c1-31(2,3)30(36)37-19-18-24(33)16-17-26(39-28(34)22-12-8-6-9-13-22)27(20-25-21-38-32(4,5)41-25)40-29(35)23-14-10-7-11-15-23/h6-15,24-27,33H,18-21H2,1-5H3/t24-,25+,26-,27+/m1/s1
InChI key： ANOYCOVAIIYOSQ-RAVGUYNFSA-N
SMILES： CC(C)(C)C(=O)OCC[C@H](O)C#C[C@@H](OC(=O)c1ccccc1)[C@H](C[C@H]1COC(C)(C)O1)OC(=O)c1ccccc1
Systematic name  (3)：
  • ピバル酸((3S,6R,7S)-3-ヒドロキシ-6,7-ジ(ベンゾイルオキシ)-8-((S)-2,2-ジメチル-1,3-ジオキソラン-4-イル)-4-オクチン-1-イル)
  • (3S,6R,7S)-6,7-ビス(ベンゾイルオキシ)-8-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-3-ヒドロキシオクタ-4-イン-1-イル 2,2-ジメチルプロパノアート
  • (3S,6R,7S)-6,7-bis(benzoyloxy)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoct-4-yn-1-yl 2,2-dimethylpropanoate
Other name (1)：
  • Pivalic acid ((3S,6R,7S)-3-hydroxy-6,7-di(benzoyloxy)-8-((S)-2,2-dimethyl-1,3-dioxolane-4-yl)-4-octyne-1-yl) ester
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