1. Primary Information
| English name: | [17-acetyloxy-4-ethoxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-3-phenylprop-2-enoate |
| CAS No.: | 1019854-60-4 |
| Molecular formula: | C39H48O9 |
| Molecular weight: | 660.8 g/mol |
| SMILES: | CCOC1CC2C3(C(CC(C4(C3C(C(C2(C5=C(C(CC5O1)C6=COC=C6)C)C)O)OC4)C)OC(=O)C)OC(=O)C=CC7=CC=CC=C7)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 2880 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[17-acetyloxy-4-ethoxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-3-phenylprop-2-enoate
4.2 InChI
InChI=1S/C39H48O9/c1-7-44-32-18-28-38(5)30(48-31(41)14-13-24-11-9-8-10-12-24)19-29(46-23(3)40)37(4)21-45-34(35(37)38)36(42)39(28,6)33-22(2)26(17-27(33)47-32)25-15-16-43-20-25/h8-16,20,26-30,32,34-36,42H,7,17-19,21H2,1-6H3/b14-13+
4.3 InChIKey
FZGSUBLWWNCYEU-BUHFOSPRSA-N
4.4 Canonical SMILES
CCOC1CC2C3(C(CC(C4(C3C(C(C2(C5=C(C(CC5O1)C6=COC=C6)C)C)O)OC4)C)OC(=O)C)OC(=O)C=CC7=CC=CC=C7)C
4.5 Isomeric SMILES
CCOC1CC2C3(C(CC(C4(C3C(C(C2(C5=C(C(CC5O1)C6=COC=C6)C)C)O)OC4)C)OC(=O)C)OC(=O)/C=C/C7=CC=CC=C7)C
