For research use only. Not for therapeutic Use.
| Catalog Number | R008050 |
| CAS Number | 92574-74-8 |
| Synonyms | 4-Methylcoumarin-7-yloxy Tridecaacetyl-β-chitotetraoside; 4-Methyl-7-[[O-3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-3,6-di-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-3,6-di-O-acetyl-2-(acetylamino)-2-deoxy- |
| Molecular Formula | C60H78N4O32 |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4-acetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxyoxan-2-yl]methyl acetate |
| InChI | InChI=1S/C60H78N4O32/c1-23-17-44(78)89-39-18-37(15-16-38(23)39)88-57-45(61-24(2)65)54(85-34(12)75)50(41(90-57)20-80-29(7)70)94-59-47(63-26(4)67)56(87-36(14)77)52(43(92-59)22-82-31(9)72)96-60-48(64-27(5)68)55(86-35(13)76)51(42(93-60)21-81-30(8)71)95-58-46(62-25(3)66)53(84-33(11)74)49(83-32(10)73)40(91-58)19-79-28(6)69/h15-18,40-43,45-60H,19-22H2,1-14H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68)/t40-,41-,42-,43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+/m1/s1 |
| InChIKey | ZRRJAKDAXZFDFL-AFQHYASXSA-N |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COC(=O)C)OC4C(C(C(C(O4)COC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C |
