1. Primary Information
| English name: | Cabazitaxel intermediate |
| CAS No.: | 1354900-65-4 |
| Molecular formula: | C51H59NO15 |
| Molecular weight: | 926.0 g/mol |
| SMILES: | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C5C(N(C(O5)C6=CC=C(C=C6)OC)C(=O)OC(C)(C)C)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | HPLC≥97% | 1760 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5mg | HPLC≥97% | 3440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-O-(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl) 3-O-tert-butyl 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
4.2 InChI
InChI=1S/C51H59NO15/c1-27-33(63-45(58)39-37(29-16-12-10-13-17-29)52(46(59)67-47(3,4)5)43(64-39)30-20-22-32(61-9)23-21-30)25-51(60)42(65-44(57)31-18-14-11-15-19-31)40-49(8,41(56)38(55)36(27)48(51,6)7)34(54)24-35-50(40,26-62-35)66-28(2)53/h10-23,33-35,37-40,42-43,54-55,60H,24-26H2,1-9H3
4.3 InChIKey
CGTCCJVJZUCIAC-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C5C(N(C(O5)C6=CC=C(C=C6)OC)C(=O)OC(C)(C)C)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)O
4.5 Isomeric SMILES
-
