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CAT No:CP27758
CAS No:1240252-34-9
Synonyms/Alias:N-(9H-Fluorene-9-ylmethoxycarbonyl)-O-[2-(acetylamino)-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-galactopyranosyl)-4-O-acetyl-6-O-[3-O,4-O,6-O-triacetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-alpha-D-galactopyranosyl]-L-threonine
Chemical Name:(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]-5-acetyloxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
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M.F/Formula | C57H71N3O28 |
M.W/Mr. | 1246.19 |
InChI | InChI=1S/C57H71N3O28/c1-24(43(53(71)72)60-57(73)77-20-39-37-18-14-12-16-35(37)36-17-13-15-19-38(36)39)78-55-45(59-26(3)62)50(88-56-52(84-34(11)70)51(83-33(10)69)48(81-31(8)67)41(87-56)22-75-28(5)64)47(80-30(7)66)42(86-55)23-76-54-44(58-25(2)61)49(82-32(9)68)46(79-29(6)65)40(85-54)21-74-27(4)63/h12-19,24,39-52,54-56H,20-23H2,1-11H3,(H,58,61)(H,59,62)(H,60,73)(H,71,72)/t24-,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50-,51+,52-,54-,55+,56+/m1/s1 |
InChI Key | VUBGOFZSXQJKQM-GVISGFBCSA-N |
Canonical SMILES | CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC4C(C(C(C(O4)COC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
Isomeric SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
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