Chem
J-GLOBAL ID:200907027940092421   Nikkaji number:J1.968.776G

Bis[2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-carboxylic acid][isopropylidenebis[(4R,5R)-5-phenyl-4,5-dihydrooxazole-2,4-diyl]bismethylene] ester

ビス[2,3,5,6,8,9,11,12,14,15-デカヒドロ-1,4,7,10,13,16-ベンゾヘキサオキサシクロオクタデシン-18-カルボン酸][イソプロピリデンビス[(4R,5R)-5-フェニル-4,5-ジヒドロオキサゾール-2,4-ジイル]ビスメチレン]
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: C57H70N2O18
Molecular formula furigana: C57-H70-N2-O18
Molecular weight: 1071.183
InChI: InChI=1S/C57H70N2O18/c1-57(2,55-58-45(51(76-55)41-9-5-3-6-10-41)39-74-53(60)43-13-15-47-49(37-43)72-35-31-68-27-23-64-19-17-62-21-25-66-29-33-70-47)56-59-46(52(77-56)42-11-7-4-8-12-42)40-75-54(61)44-14-16-48-50(38-44)73-36-32-69-28-24-65-20-18-63-22-26-67-30-34-71-48/h3-16,37-38,45-46,51-52H,17-36,39-40H2,1-2H3/t45-,46-,51-,52-/m1/s1
InChI key: FVZNRNONGCSXKF-NNVOFVPTSA-N
SMILES: CC(C)(C1=N[C@H](COC(=O)c2ccc3OCCOCCOCCOCCOCCOc3c2)[C@H](O1)c1ccccc1)C1=N[C@H](COC(=O)c2ccc3OCCOCCOCCOCCOCCOc3c2)[C@H](O1)c1ccccc1
Systematic name  (3):
  • ビス[2,3,5,6,8,9,11,12,14,15-デカヒドロ-1,4,7,10,13,16-ベンゾヘキサオキサシクロオクタデシン-18-カルボン酸][イソプロピリデンビス[(4R,5R)-5-フェニル-4,5-ジヒドロオキサゾール-2,4-ジイル]ビスメチレン]
  • [(4R,5R)-2-{2-[(4R,5R)-4-[(2,3,5,6,8,9,11,12,14,15-デカヒドロ-1,4,7,10,13,16-ベンゾヘキサオキサシクロオクタデシン-18-カルボニルオキシ)メチル]-5-フェニル-4,5-ジヒドロ-1,3-オキサゾール-2-イル]プロパン-2-イル}-5-フェニル-4,5-ジヒドロ-1,3-オキサゾール-4-イル]メチル 2,3,5,6,8,9,11,12,14,15-デカヒドロ-1,4,7,10,13,16-ベンゾヘキサオキサシクロオクタデシン-18-カルボキシラート
  • [(4R,5R)-2-{2-[(4R,5R)-4-[(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carbonyloxy)methyl]-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl}-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylate
Other name (1):
  • Bis[2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-carboxylic acid][isopropylidenebis[(4R,5R)-5-phenyl-4,5-dihydrooxazole-2,4-diyl]bismethylene] ester
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