1. Primary Information
| English name: | CID 102004481 |
| CAS No.: | 39729-21-0 |
| Molecular formula: | C32H51NO4 |
| Molecular weight: | 513.8 g/mol |
| SMILES: | CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC6C7(CCC(C6(C(O7)O)C)OC(=O)C)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 4640 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[7-hydroxy-1,5-dimethyl-8-[2-[(3S,7R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
4.2 InChI
InChI=1S/C32H51NO4/c1-19(2)22-10-14-28(4)21-9-16-31-13-7-8-24(31)32(28,26(22)33(31)18-21)17-11-23-29(5)15-12-25(36-20(3)34)30(23,6)27(35)37-29/h19,21-27,35H,7-18H2,1-6H3/t21?,22?,23?,24-,25?,26?,27?,28?,29?,30?,31-,32?/m1/s1
4.3 InChIKey
QCDMEBFUPVLRNE-ULZSQJEUSA-N
4.4 Canonical SMILES
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC6C7(CCC(C6(C(O7)O)C)OC(=O)C)C)C
4.5 Isomeric SMILES
CC(C)C1CCC2(C3CC[C@]45CCC[C@H]4C2(C1N5C3)CCC6C7(CCC(C6(C(O7)O)C)OC(=O)C)C)C
