Chem
J-GLOBAL ID:200907074464933100
Nikkaji number:J2.198.202D
2-O-(1-O-Allyl-2-O,3-O-dibenzoyl-6-deoxy-α-D-galactopyranose-6-yl)-4-O,7-O,8-O,9-O-tetraacetyl-N,N-phthaloyl-α-neuraminic acid methyl ester
2-O-(1-O-アリル-2-O,3-O-ジベンゾイル-6-デオキシ-α-D-ガラクトピラノース-6-イル)-4-O,7-O,8-O,9-O-テトラアセチル-N,N-フタロイル-α-ノイラミン酸メチル
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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:
C49 H51 NO21
Molecular formula furigana:
C49-H51-N-O21
Molecular weight:
989.933
InChI:
InChI=1S/C49H51NO21/c1-7-22-62-47-42(70-46(59)31-18-12-9-13-19-31)41(69-45(58)30-16-10-8-11-17-30)38(55)35(68-47)25-64-49(48(60)61-6)23-34(65-27(3)52)37(50-43(56)32-20-14-15-21-33(32)44(50)57)40(71-49)39(67-29(5)54)36(66-28(4)53)24-63-26(2)51/h7-21,34-42,47,55H,1,22-25H2,2-6H3/t34-,35+,36+,37+,38-,39+,40+,41-,42+,47-,49+/m0/s1
InChI key:
UGBAGKMELAERFH-JNYFIJPPSA-N
SMILES:
COC(=O)[C@]1(C[C@H](OC(=O)C)[C@H]([C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)N1C(=O)c2ccccc2C1=O)OC[C@H]1O[C@H](OCC=C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1O
Systematic name (5):
2-O-(1-O-アリル-2-O,3-O-ジベンゾイル-6-デオキシ-α-D-ガラクトピラノース-6-イル)-4-O,7-O,8-O,9-O-テトラアセチル-N,N-フタロイル-α-ノイラミン酸メチル
アリル2-O,3-O-ジベンゾイル-6-O-[[4-O,7-O,8-O,9-O-テトラアセチル-5-(1,3-ジオキソ-1,3-ジヒドロ-2H-イソインドール-2-イル)-2-デオキシ-3,5-ジデオキシ-α-D-glycero-D-galacto-2-ノヌロピラノソン酸メチル]-2-イル]-α-D-ガラクトピラノシド
アリル6-[[4-O,7-O,8-O,9-O-テトラアセチル-2-デカルボキシ-2-(メトキシカルボニル)-5-(1,3-ジオキソイソインドリン-2-イル)-5-デアミノ-α-ノイラミン酸]-2-O-イル]-2-O,3-O-ジベンゾイル-6-デオキシ-α-D-ガラクトピラノシド
メチル (2R,4S,5R,6R)-4-(アセチルオキシ)-2-{[(2R,3S,4S,5R,6S)-4,5-ビス(ベンゾイルオキシ)-3-ヒドロキシ-6-(プロパ-2-エン-1-イルオキシ)オキサン-2-イル]メトキシ}-5-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-6-[(1S,2R)-1,2,3-トリス(アセチルオキシ)プロピル]オキサン-2-カルボキシラート
methyl (2R,4S,5R,6R)-4-(acetyloxy)-2-{[(2R,3S,4S,5R,6S)-4,5-bis(benzoyloxy)-3-hydroxy-6-(prop-2-en-1-yloxy)oxan-2-yl]methoxy}-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (3):
2-O-(1-O-Allyl-2-O,3-O-dibenzoyl-6-deoxy-α-D-galactopyranose-6-yl)-4-O,7-O,8-O,9-O-tetraacetyl-N,N-phthaloyl-α-neuraminic acid methyl ester
Allyl 2-O,3-O-dibenzoyl-6-O-[[4-O,7-O,8-O,9-O-tetraacetyl-5-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)-2-deoxy-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosonic acid methyl]-2-yl]-α-D-galactopyranoside
Allyl 6-[[4-O,7-O,8-O,9-O-tetraacetyl-2-decarboxy-2-(methoxycarbonyl)-5-(1,3-dioxoisoindoline-2-yl)-5-deamino-α-neuraminic acid]-2-O-yl]-2-O,3-O-dibenzoyl-6-deoxy-α-D-galactopyranoside
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