
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 131129-98-1 |
| Catalog No. | 2A-9011461 |
| Chinese Name | Mipragoside |
| Synonyms | Mipragoside; N-(II3-N-Acetylneuraminosylgangliotetraosyl)ceramide Isopropyl Ester |
| Molecular Formula | C76H137N3O31 |
| Molecular Weight | 1588.902 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 1506.8±65.0 °C at 760 mmHg |
| SMILES | CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C(OC3(C(=O)OC(C)C)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C76H137N3O31/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-55(90)79-47(48(87)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)43-100-72-64(97)62(95)66(53(41-83)104-72)106-74-65(98)70(110-76(75(99)101-44(3)4)37-49(88)56(77-45(5)85)69(109-76)58(91)50(89)38-80)67(54(42-84)105-74)107-71-57(78-46(6)86)68(60(93)52(40-82)102-71)108-73-63(96)61(94)59(92)51(39-81)103-73/h33,35,44,47-54,56-74,80-84,87-89,91-98H,7-32,34,36-43H2,1-6H3,(H,77,85)(H,78,86)(H,79,90)/b35-33+/t47-,48+,49+,50+,51+,52+,53+,54+,56-,57+,58+,59-,60-,61-,62+,63+,64+,65+,66+,67-,68+,69-,70+,71-,72+,73-,74-,76+/m0/s1 |
| InChI Key | NBMVYETVBIIWFF-FTUSHMLLSA-N |
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