Chem
J-GLOBAL ID:201007067886515144   Nikkaji number:J2.814.844E

1-O-[3-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzyloxycarbonylamino]propyl]-2-O,3-O,6-O-tribenzyl-4-O-[2-O,6-O-dibenzyl-3-O-[2-phthalimidyl-3-O-(2-O,3-O,4-O-tribenzyl-α-L-rhamnopyranosyl)-4-O-(2-O,3-O-dibenzoyl-4-O,6-O-benzylidene-β-D-galactopyranosyl)-6-O-benzyl-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucopyranose

1-O-[3-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)ベンジルオキシカルボニルアミノ]プロピル]-2-O,3-O,6-O-トリベンジル-4-O-[2-O,6-O-ジベンジル-3-O-[2-フタルイミジル-3-O-(2-O,3-O,4-O-トリベンジル-α-L-ラムノピラノシル)-4-O-(2-O,3-O-ジベンゾイル-4-O,6-O-ベンジリデン-β-D-ガラクトピラノシル)-6-O-ベンジル-2-デオキシ-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-β-D-グルコピラノース
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: C143H137F17N2O30
Molecular formula furigana: C143-H137-F17-N2-O30
Molecular weight: 2686.626
InChI: InChI=1S/C143H137F17N2O30/c1-89-112(173-78-94-47-20-5-21-48-94)118(174-79-95-49-22-6-23-50-95)123(178-83-99-57-30-10-31-58-99)132(181-89)191-116-110(162-125(164)104-65-38-39-66-105(104)126(162)165)130(183-107(86-170-76-92-43-16-3-17-44-92)113(116)189-134-124(187-128(167)102-61-34-12-35-62-102)120(186-127(166)101-59-32-11-33-60-101)115-109(185-134)88-179-129(188-115)103-63-36-13-37-64-103)192-117-111(163)106(85-169-75-91-41-14-2-15-42-91)182-133(121(117)176-81-97-53-26-8-27-54-97)190-114-108(87-171-77-93-45-18-4-19-46-93)184-131(122(177-82-98-55-28-9-29-56-98)119(114)175-80-96-51-24-7-25-52-96)172-74-40-73-161-135(168)180-84-100-69-67-90(68-70-100)71-72-136(144,145)137(146,147)138(148,149)139(150,151)140(152,153)141(154,155)142(156,157)143(158,159)160/h2-39,41-70,89,106-124,129-134,163H,40,71-88H2,1H3,(H,161,168)/t89-,106+,107+,108+,109+,110+,111-,112-,113+,114+,115-,116+,117-,118+,119-,120-,121+,122+,123+,124+,129?,130-,131+,132-,133-,134-/m0/s1
InChI key: UCRKKDITAPEGEV-NJWUVIKTSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@@H]4COC(O[C@@H]4[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c3ccccc3)[C@@H](COCc3ccccc3)O[C@@H](O[C@H]3[C@@H](O)[C@@H](COCc4ccccc4)O[C@@H](O[C@@H]4[C@@H](COCc5ccccc5)O[C@@H](OCCCNC(=O)OCc5ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)[C@@H]3OCc3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Systematic name  (3):
  • 1-O-[3-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)ベンジルオキシカルボニルアミノ]プロピル]-2-O,3-O,6-O-トリベンジル-4-O-[2-O,6-O-ジベンジル-3-O-[2-フタルイミジル-3-O-(2-O,3-O,4-O-トリベンジル-α-L-ラムノピラノシル)-4-O-(2-O,3-O-ジベンゾイル-4-O,6-O-ベンジリデン-β-D-ガラクトピラノシル)-6-O-ベンジル-2-デオキシ-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-β-D-グルコピラノース
  • (4aR,6S,7R,8S,8aS)-7-(ベンゾイルオキシ)-6-{[(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5S,6R)-3-(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-2-{[(2R,3R,4S,5R,6R)-4,5-ビス(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-6-{3-[({[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)フェニル]メトキシ}カルボニル)アミノ]プロポキシ}オキサン-3-イル]オキシ}-5-ヒドロキシオキサン-4-イル]オキシ}-2-[(ベンジルオキシ)メチル]-5-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-4-{[(2S,3R,4R,5S,6S)-3,4,5-トリス(ベンジルオキシ)-6-メチルオキサン-2-イル]オキシ}オキサン-3-イル]オキシ}-2-フェニル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-8-イル ベンゾアート
  • (4aR,6S,7R,8S,8aS)-7-(benzoyloxy)-6-{[(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5S,6R)-3-(benzyloxy)-6-[(benzyloxy)methyl]-2-{[(2R,3R,4S,5R,6R)-4,5-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-{3-[({[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methoxy}carbonyl)amino]propoxy}oxan-3-yl]oxy}-5-hydroxyoxan-4-yl]oxy}-2-[(benzyloxy)methyl]-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-{[(2S,3R,4R,5S,6S)-3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl benzoate
Other name (1):
  • 1-O-[3-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzyloxycarbonylamino]propyl]-2-O,3-O,6-O-tribenzyl-4-O-[2-O,6-O-dibenzyl-3-O-[2-phthalimidyl-3-O-(2-O,3-O,4-O-tribenzyl-α-L-rhamnopyranosyl)-4-O-(2-O,3-O-dibenzoyl-4-O,6-O-benzylidene-β-D-galactopyranosyl)-6-O-benzyl-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucopyranose
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