Chem
J-GLOBAL ID:200907062607356390
Nikkaji number:J1.549.414J
4-Nitrophenyl 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-ニトロフェニル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
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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:
C41 H51 [N+]O25 [O-]
Molecular formula furigana:
C41-H51-N-O26
Molecular weight:
973.840
InChI:
InChI=1S/C41H51NO26/c1-17(43)54-14-28-31(57-19(3)45)34(60-22(6)48)37(62-24(8)50)41(67-28)68-35-32(58-20(4)46)29(15-55-18(2)44)65-40(38(35)63-25(9)51)66-30-16-56-39(36(61-23(7)49)33(30)59-21(5)47)64-27-12-10-26(11-13-27)42(52)53/h10-13,28-41H,14-16H2,1-9H3/t28-,29-,30-,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
InChI key:
MNMDINBDDGUXII-BKJNNOPMSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3ccc(cc3)[N+](=O)[O-])[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](O[C@@H]2O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H]1OC(=O)C
Systematic name (3):
4-ニトロフェニル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-ニトロフェノキシ)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-nitrophenoxy)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-Nitrophenyl 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
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