Chem
J-GLOBAL ID:200907040721654054   Nikkaji number:J1.931.751J

(6α)-1α-(Benzoyloxymethyl)-2β-hydroxy-3α-[(4S)-2,2-dimethyl-1,3-dioxolane-4β-yl]-4β-(tert-butoxycarbonylamino)-4-[2-(4,4′-dimethoxytrityloxy)ethyl]-5α-(benzyloxymethoxy)-7-oxabicyclo[4.1.0]heptane

(6α)-1α-(ベンゾイルオキシメチル)-2β-ヒドロキシ-3α-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4β-イル]-4β-(tert-ブトキシカルボニルアミノ)-4-[2-(4,4′-ジメトキシトリチルオキシ)エチル]-5α-(ベンジルオキシメトキシ)-7-オキサビシクロ[4.1.0]ヘプタン
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: C55H63NO13
Molecular formula furigana: C55-H63-N-O13
Molecular weight: 946.103
InChI: InChI=1S/C55H63NO13/c1-51(2,3)69-50(59)56-53(31-32-65-55(39-21-15-10-16-22-39,40-23-27-42(60-6)28-24-40)41-25-29-43(61-7)30-26-41)45(44-34-66-52(4,5)67-44)46(57)54(35-63-49(58)38-19-13-9-14-20-38)48(68-54)47(53)64-36-62-33-37-17-11-8-12-18-37/h8-30,44-48,57H,31-36H2,1-7H3,(H,56,59)/t44-,45+,46+,47-,48-,53-,54+/m1/s1
InChI key: YFBOIQSSUXRTLP-HLIALSHDSA-N
SMILES: COc1ccc(cc1)C(OCC[C@]1(NC(=O)OC(C)(C)C)[C@H](OCOCc2ccccc2)[C@H]2O[C@@]2(COC(=O)c2ccccc2)[C@@H](O)[C@@H]1[C@H]1COC(C)(C)O1)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • (6α)-1α-(ベンゾイルオキシメチル)-2β-ヒドロキシ-3α-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4β-イル]-4β-(tert-ブトキシカルボニルアミノ)-4-[2-(4,4′-ジメトキシトリチルオキシ)エチル]-5α-(ベンジルオキシメトキシ)-7-オキサビシクロ[4.1.0]ヘプタン
  • [(1S,2S,3R,4R,5S,6R)-5-[(ベンジルオキシ)メトキシ]-4-{2-[ビス(4-メトキシフェニル)(フェニル)メトキシ]エチル}-4-{[(tert-ブトキシ)カルボニル]アミノ}-3-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2-ヒドロキシ-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]メチル ベンゾアート
  • [(1S,2S,3R,4R,5S,6R)-5-[(benzyloxy)methoxy]-4-{2-[bis(4-methoxyphenyl)(phenyl)methoxy]ethyl}-4-{[(tert-butoxy)carbonyl]amino}-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-7-oxabicyclo[4.1.0]heptan-1-yl]methyl benzoate
Other name (1):
  • (6α)-1α-(Benzoyloxymethyl)-2β-hydroxy-3α-[(4S)-2,2-dimethyl-1,3-dioxolane-4β-yl]-4β-(tert-butoxycarbonylamino)-4-[2-(4,4′-dimethoxytrityloxy)ethyl]-5α-(benzyloxymethoxy)-7-oxabicyclo[4.1.0]heptane
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