Chem
J-GLOBAL ID:201107042222348920   Nikkaji number:J2.982.695A

6β-[(R)-1,2-Bis(benzoyloxy)ethyl]-4β-[6β-[(R)-1,2-bis(benzoyloxy)ethyl]-4β,5β-(isopropylidenedioxy)-2α-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl]-5β-hydroxy-2-(allyloxy)tetrahydro-2H-pyran-2α-carboxylic acid methyl ester

6β-[(R)-1,2-ビス(ベンゾイルオキシ)エチル]-4β-[6β-[(R)-1,2-ビス(ベンゾイルオキシ)エチル]-4β,5β-(イソプロピリデンジオキシ)-2α-(メトキシカルボニル)テトラヒドロ-2H-ピラン-2-イル]-5β-ヒドロキシ-2-(アリルオキシ)テトラヒドロ-2H-ピラン-2α-カルボン酸メチル
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: C52H54O18
Molecular formula furigana: C52-H54-O18
Molecular weight: 966.986
InChI: InChI=1S/C52H54O18/c1-6-27-64-52(49(59)61-5)28-36(40(53)41(70-52)38(65-46(56)34-23-15-9-16-24-34)30-62-44(54)32-19-11-7-12-20-32)51(48(58)60-4)29-37-42(68-50(2,3)67-37)43(69-51)39(66-47(57)35-25-17-10-18-26-35)31-63-45(55)33-21-13-8-14-22-33/h6-26,36-43,53H,1,27-31H2,2-5H3/t36-,37-,38-,39-,40-,41-,42-,43-,51-,52+/m1/s1
InChI key: CDVUMJBPQKDVJG-ZSIPPMCRSA-N
SMILES: COC(=O)[C@@]1(C[C@H]([C@@H](O)[C@H](O1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1)[C@]1(C[C@H]2OC(C)(C)O[C@H]2[C@H](O1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1)C(=O)OC)OCC=C
Systematic name  (3):
  • 6β-[(R)-1,2-ビス(ベンゾイルオキシ)エチル]-4β-[6β-[(R)-1,2-ビス(ベンゾイルオキシ)エチル]-4β,5β-(イソプロピリデンジオキシ)-2α-(メトキシカルボニル)テトラヒドロ-2H-ピラン-2-イル]-5β-ヒドロキシ-2-(アリルオキシ)テトラヒドロ-2H-ピラン-2α-カルボン酸メチル
  • メチル (2S,4R,5R,6S)-4-[(3aR,4R,6R,7aR)-4-[(1R)-1,2-ビス(ベンゾイルオキシ)エチル]-6-(メトキシカルボニル)-2,2-ジメチル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピラン-6-イル]-6-[(1R)-1,2-ビス(ベンゾイルオキシ)エチル]-5-ヒドロキシ-2-(プロパ-2-エン-1-イルオキシ)オキサン-2-カルボキシラート
  • methyl (2S,4R,5R,6S)-4-[(3aR,4R,6R,7aR)-4-[(1R)-1,2-bis(benzoyloxy)ethyl]-6-(methoxycarbonyl)-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]-6-[(1R)-1,2-bis(benzoyloxy)ethyl]-5-hydroxy-2-(prop-2-en-1-yloxy)oxane-2-carboxylate
Other name (1):
  • 6β-[(R)-1,2-Bis(benzoyloxy)ethyl]-4β-[6β-[(R)-1,2-bis(benzoyloxy)ethyl]-4β,5β-(isopropylidenedioxy)-2α-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl]-5β-hydroxy-2-(allyloxy)tetrahydro-2H-pyran-2α-carboxylic acid methyl ester
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