
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 219783-77-4 |
| Catalog No. | 2A-3180298 |
| Chinese Name | 紫杉醇杂质O |
| Molecular Formula | C49H53NO14 |
| Molecular Weight | 968.17 |
| PubChem ID | 15387029 |
| SMILES | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)C=Cc3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
| InChI | InChI=1S/C49H53NO14/c1-27-33(62-45(58)39(55)38(31-18-12-8-13-19-31)50-36(54)23-22-30-16-10-7-11-17-30)25-49(59)43(63-44(57)32-20-14-9-15-21-32)41-47(6,34(53)24-35-48(41,26-60-35)64-29(3)52)42(56)40(61-28(2)51)37(27)46(49,4)5/h7-23,33-35,38-41,43,53,55,59H,24-26H2,1-6H3,(H,50,54)/b23-22+/t33-,34-,35+,38-,39+,40+,41-,43-,47+,48-,49+/m0/s1 |
| InChI Key | SESDEFPIFUOEIX-UFWAFWIVSA-N |
| UNSPSC | 41116107 |
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