Chem
J-GLOBAL ID:200907078398680501   Nikkaji number:J2.010.422H

8-(Methoxycarbonyl)octyl 5-O-[5-O-[2-O-benzoyl-3-O-benzyl-5-[(4S)-4-(hydroxymethyl)pyrrolizino]-5-deoxy-α-D-arabinofuranosyl]-2-O-benzoyl-3-O-benzyl-α-D-arabinofuranosyl]-2-O-benzoyl-3-O-benzyl-α-D-arabinofuranoside

8-(メトキシカルボニル)オクチル5-O-[5-O-[2-O-ベンゾイル-3-O-ベンジル-5-[(4S)-4-(ヒドロキシメチル)ピロリジノ]-5-デオキシ-α-D-アラビノフラノシル]-2-O-ベンゾイル-3-O-ベンジル-α-D-アラビノフラノシル]-2-O-ベンゾイル-3-O-ベンジル-α-D-アラビノフラノシド
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: C72H83NO18
Molecular formula furigana: C72-H83-N-O18
Molecular weight: 1250.445
InChI: InChI=1S/C72H83NO18/c1-79-60(75)38-24-4-2-3-5-25-41-80-70-65(90-68(77)55-34-20-10-21-35-55)62(82-46-51-28-14-7-15-29-51)58(87-70)48-85-72-66(91-69(78)56-36-22-11-23-37-56)63(83-47-52-30-16-8-17-31-52)59(88-72)49-84-71-64(89-67(76)54-32-18-9-19-33-54)61(81-45-50-26-12-6-13-27-50)57(86-71)43-73-40-39-53(42-73)44-74/h6-23,26-37,53,57-59,61-66,70-72,74H,2-5,24-25,38-49H2,1H3/t53-,57+,58+,59+,61+,62+,63+,64-,65-,66-,70-,71-,72-/m0/s1
InChI key: QPRQFPXNLSXVDX-XXIXMUHESA-N
SMILES: COC(=O)CCCCCCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CN4CC[C@H](CO)C4)[C@@H](OCc4ccccc4)[C@@H]3OC(=O)c3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccccc1
Systematic name  (3):
  • 8-(メトキシカルボニル)オクチル5-O-[5-O-[2-O-ベンゾイル-3-O-ベンジル-5-[(4S)-4-(ヒドロキシメチル)ピロリジノ]-5-デオキシ-α-D-アラビノフラノシル]-2-O-ベンゾイル-3-O-ベンジル-α-D-アラビノフラノシル]-2-O-ベンゾイル-3-O-ベンジル-α-D-アラビノフラノシド
  • (2S,3S,4R,5R)-2-{[(2R,3R,4S,5S)-4-(ベンゾイルオキシ)-5-{[(2R,3R,4S,5S)-4-(ベンゾイルオキシ)-3-(ベンジルオキシ)-5-[(9-メトキシ-9-オキソノニル)オキシ]オキソラン-2-イル]メトキシ}-3-(ベンジルオキシ)オキソラン-2-イル]メトキシ}-4-(ベンジルオキシ)-5-{[(3S)-3-(ヒドロキシメチル)ピロリジン-1-イル]メチル}オキソラン-3-イル ベンゾアート
  • (2S,3S,4R,5R)-2-{[(2R,3R,4S,5S)-4-(benzoyloxy)-5-{[(2R,3R,4S,5S)-4-(benzoyloxy)-3-(benzyloxy)-5-[(9-methoxy-9-oxononyl)oxy]oxolan-2-yl]methoxy}-3-(benzyloxy)oxolan-2-yl]methoxy}-4-(benzyloxy)-5-{[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl}oxolan-3-yl benzoate
Other name (1):
  • 8-(Methoxycarbonyl)octyl 5-O-[5-O-[2-O-benzoyl-3-O-benzyl-5-[(4S)-4-(hydroxymethyl)pyrrolizino]-5-deoxy-α-D-arabinofuranosyl]-2-O-benzoyl-3-O-benzyl-α-D-arabinofuranosyl]-2-O-benzoyl-3-O-benzyl-α-D-arabinofuranoside
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