![-(BenzoylaMino)-α-hydroxybenzenepropanoic Acid (αR,βS)-(1S,3S,4S,4aR,5S,6S,8S,11R,12aS)-3,11-Bis(acetyloxy)-4-[(benzoyloxy)Methyl]-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-1,4,5,6-tetrahydroxy-9,12a,13,13-tetraMethyl-12-oxo-6,10-Methanobenzocyclodecen-8-yl Ester structure, CAS 932042-85-8](/structures/210000/197569_2_932042_85_8.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 932042-85-8 |
| Catalog No. | 2A-1195843 |
| Chinese Name | Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity |
| Molecular Formula | C47H53NO15 |
| Molecular Weight | 871.92100 |
| Purity | 98.00 |
| PubChem ID | 164232066 |
| SMILES | CC(=O)OC1C(=O)C2(C)C(O)CC(OC(C)=O)C(O)(COC(=O)c3ccccc3)C2C(O)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
| InChI | InChI=1S/C47H53NO15/c1-25-31(63-43(57)36(52)35(28-16-10-7-11-17-28)48-41(55)29-18-12-8-13-19-29)23-47(59)40(54)38-45(6,39(53)37(62-27(3)50)34(25)44(47,4)5)32(51)22-33(61-26(2)49)46(38,58)24-60-42(56)30-20-14-9-15-21-30/h7-21,31-33,35-38,40,51-52,54,58-59H,22-24H2,1-6H3,(H,48,55)/t31-,32-,33-,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 |
| InChI Key | BWBMUOOTJLNHSQ-SJBOGKINSA-N |
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