Chem
J-GLOBAL ID:200907027107494923   Nikkaji number:J1.474.295F

1-O-[Benzyloxy[(2R)-2-(1H-imidazole-1-yl)-3-(stearoyloxy)propoxy]phosphinyl]-2-O,4-O,5-O,6-O-tetrabenzyl-3-(benzyloxymethyl)-3-deoxy-D-myo-inositol

1-O-[ベンジルオキシ[(2R)-2-(1H-イミダゾール-1-イル)-3-(ステアロイルオキシ)プロポキシ]ホスフィニル]-2-O,4-O,5-O,6-O-テトラベンジル-3-(ベンジルオキシメチル)-3-デオキシ-D-myo-イノシトール
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: C73H93N2O11P
Molecular formula furigana: C73-H93-N2-O11-P
Molecular weight: 1205.524
InChI: InChI=1S/C73H93N2O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-34-47-68(76)79-56-66(75-49-48-74-59-75)57-85-87(77,84-55-65-45-32-21-33-46-65)86-73-70(81-52-62-39-26-18-27-40-62)67(58-78-50-60-35-22-16-23-36-60)69(80-51-61-37-24-17-25-38-61)71(82-53-63-41-28-19-29-42-63)72(73)83-54-64-43-30-20-31-44-64/h16-33,35-46,48-49,59,66-67,69-73H,2-15,34,47,50-58H2,1H3/t66-,67-,69-,70-,71+,72-,73-,87?/m1/s1
InChI key: BKDQWHYEQYLMES-NHFGTXEESA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCc1ccccc1)O[C@@H]1[C@H](OCc2ccccc2)[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)n1ccnc1
Systematic name  (3):
  • 1-O-[ベンジルオキシ[(2R)-2-(1H-イミダゾール-1-イル)-3-(ステアロイルオキシ)プロポキシ]ホスフィニル]-2-O,4-O,5-O,6-O-テトラベンジル-3-(ベンジルオキシメチル)-3-デオキシ-D-myo-イノシトール
  • (2R)-3-{[(ベンジルオキシ)({[(1R,2R,3S,4R,5R,6R)-2,3,4,6-テトラキス(ベンジルオキシ)-5-[(ベンジルオキシ)メチル]シクロヘキシル]オキシ})ホスホリル]オキシ}-2-(1H-イミダゾール-1-イル)プロピル オクタデカノアート
  • (2R)-3-{[(benzyloxy)({[(1R,2R,3S,4R,5R,6R)-2,3,4,6-tetrakis(benzyloxy)-5-[(benzyloxy)methyl]cyclohexyl]oxy})phosphoryl]oxy}-2-(1H-imidazol-1-yl)propyl octadecanoate
Other name (1):
  • 1-O-[Benzyloxy[(2R)-2-(1H-imidazole-1-yl)-3-(stearoyloxy)propoxy]phosphinyl]-2-O,4-O,5-O,6-O-tetrabenzyl-3-(benzyloxymethyl)-3-deoxy-D-myo-inositol
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