d-Raffinose undecaacetate (2R,3S,4S,5R)-2-(乙酰氧基甲基)-6-(((2R,3R,4S,5R)-3,4,5-三乙酰氧基-6-(((2S,3S,4R,5R) )-3,4-二乙酰氧基-2,5-双(乙酰氧基甲基)四氢呋喃-2-基)氧基)四氢-2H-吡喃-2-基)甲氧基)四氢-2H-吡喃-3,4,5-三乙酸三酯
CAS 6462-12-0 MFCD06462120
化学结构图
SMILES: N=C(N)SCc1ccccc1.O=S(O)c1ccccc1S(=O)(=O)c1ccccc1
化学属性
| Mol. Formula | C40H54O27 |
|---|---|
| Mol. Weight | 966.84 |
别名和识别编码
| Chemical Name | d-Raffinose undecaacetate |
|---|---|
| PubChem Substance ID | 11722138 |
| InChI | InChI=1S/C40H54O27/c1-16(41)52-12-27-30(56-19(4)44)33(59-22(7)47)35(61-24(9)49)38(64-27)54-13-28-31(57-20(5)45)34(60-23(8)48)36(62-25(10)50)39(65-28)67-40(15-55-18(3)43)37(63-26(11)51)32(58-21(6)46)29(66-40)14-53-17(2)42/h27-39H,12-15H2,1-11H3/t27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38?,39?,40+/m1/s1 |
| CAS Number | 6462-12-0 |
| Synonym | (2R,3S,4S,5R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R)-3,4,5-triacetoxy-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate {LY} (2R,3S,4S,5R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R)-3,4,5-triacetoxy-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate {} {LY} (2R,3S,4S,5R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R)-3,4,5-triacetoxy-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate {} {} {LY} (2R,3S,4S,5R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R)-3,4,5-triacetoxy-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate {} {} {} {LY} (2R,3S,4S,5R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R)-3,4,5-triacet |
| Chemical Name Translation | (2R,3S,4S,5R)-2-(乙酰氧基甲基)-6-(((2R,3R,4S,5R)-3,4,5-三乙酰氧基-6-(((2S,3S,4R,5R) )-3,4-二乙酰氧基-2,5-双(乙酰氧基甲基)四氢呋喃-2-基)氧基)四氢-2H-吡喃-2-基)甲氧基)四氢-2H-吡喃-3,4,5-三乙酸三酯 |
| Canonical SMILES | CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
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