1. Primary Information
| English name: | - |
| CAS No.: | 244167-04-2 |
| Molecular formula: | - |
| Molecular weight: | - g/mol |
| SMILES: | - |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,8,11-pentaacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate
4.2 InChI
InChI=1S/C37H44O15/c1-18-26(48-19(2)38)15-28(49-20(3)39)36(17-46-33(44)24-12-10-9-11-13-24)29(18)30(50-21(4)40)25-14-27(43)35(8)37(45,34(25,7)16-47-35)32(52-23(6)42)31(36)51-22(5)41/h9-13,25-26,28-32,45H,1,14-17H2,2-8H3/t25-,26-,28-,29-,30+,31-,32-,34-,35+,36+,37-/m0/s1
4.3 InChIKey
XUMIEQQAVQWNBJ-CCCKHRJYSA-N
4.4 Canonical SMILES
CC(=O)OC1CC(C2(C(C1=C)C(C3CC(=O)C4(C(C3(CO4)C)(C(C2OC(=O)C)OC(=O)C)O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)C
4.5 Isomeric SMILES
CC(=O)O[C@H]1C[C@@H]([C@@]2([C@@H](C1=C)[C@@H]([C@@H]3CC(=O)[C@@]4([C@@]([C@]3(CO4)C)([C@H]([C@@H]2OC(=O)C)OC(=O)C)O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)C
