Chem
J-GLOBAL ID:200907047290470125
Nikkaji number:J1.549.415H
4-(Acetylamino)phenyl 2-O,3-O-diacetyl-4-O-[2-O,4-O,6-O-triacetyl-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-galactopyranosyl]-β-D-xylopyranoside
4-(アセチルアミノ)フェニル2-O,3-O-ジアセチル-4-O-[2-O,4-O,6-O-トリアセチル-3-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-β-D-ガラクトピラノシル]-β-D-キシロピラノシド
Download MOL file
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:
C43 H55 NO25
Molecular formula furigana:
C43-H55-N-O25
Molecular weight:
985.895
InChI:
InChI=1S/C43H55NO25/c1-18(45)44-28-11-13-29(14-12-28)65-41-38(62-25(8)52)35(60-23(6)50)32(17-57-41)67-42-40(64-27(10)54)37(34(59-22(5)49)31(66-42)16-56-20(3)47)69-43-39(63-26(9)53)36(61-24(7)51)33(58-21(4)48)30(68-43)15-55-19(2)46/h11-14,30-43H,15-17H2,1-10H3,(H,44,45)/t30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1
InChI key:
PQIBRQVARHHEAQ-UWOAMNCYSA-N
SMILES:
CC(=O)Nc1ccc(O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H]3OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)cc1
Systematic name (3):
4-(アセチルアミノ)フェニル2-O,3-O-ジアセチル-4-O-[2-O,4-O,6-O-トリアセチル-3-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-β-D-ガラクトピラノシル]-β-D-キシロピラノシド
[(2R,3S,4S,5R,6S)-3,5-ビス(アセチルオキシ)-6-{[(3R,4S,5R,6S)-4,5-ビス(アセチルオキシ)-6-(4-アセトアミドフェノキシ)オキサン-3-イル]オキシ}-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
[(2R,3S,4S,5R,6S)-3,5-bis(acetyloxy)-6-{[(3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-(4-acetamidophenoxy)oxan-3-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
4-(Acetylamino)phenyl 2-O,3-O-diacetyl-4-O-[2-O,4-O,6-O-triacetyl-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-galactopyranosyl]-β-D-xylopyranoside
Thsaurus map:
Return to Previous Page