1. Primary Information
| English name: | 1-Cinnamoyltrichilinin |
| CAS No.: | 117869-72-4 |
| Molecular formula: | C39H46O9 |
| Molecular weight: | 658.8 g/mol |
| SMILES: | CC(=O)OC1CC2C3(C(CC(C4(C3C(C(C2(C5=CCC(C15C)C6=COC=C6)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
[4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate
4.2 InChI
InChI=1S/C39H46O9/c1-22(40)46-29-19-31(48-32(42)15-12-24-10-8-7-9-11-24)39(6)28-18-30(47-23(2)41)37(4)26(25-16-17-44-20-25)13-14-27(37)38(28,5)35(43)33-34(39)36(29,3)21-45-33/h7-12,14-17,20,26,28-31,33-35,43H,13,18-19,21H2,1-6H3/b15-12+
4.3 InChIKey
DGVWCAONVNVPRJ-NTCAYCPXSA-N
4.4 Canonical SMILES
CC(=O)OC1CC2C3(C(CC(C4(C3C(C(C2(C5=CCC(C15C)C6=COC=C6)C)O)OC4)C)OC(=O)C)OC(=O)C=CC7=CC=CC=C7)C
4.5 Isomeric SMILES
CC(=O)OC1CC2C3(C(CC(C4(C3C(C(C2(C5=CCC(C15C)C6=COC=C6)C)O)OC4)C)OC(=O)C)OC(=O)/C=C/C7=CC=CC=C7)C
