1. Primary Information
| English name: | Lappaol F |
| CAS No.: | 69394-17-8 |
| Molecular formula: | C40H42O12 |
| Molecular weight: | 714.8 g/mol |
| SMILES: | COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CC4COC(=O)C4CC5=CC6=C(C(=C5)OC)OC(C6CO)C7=CC(=C(C=C7)O)OC |
| Structural class: | |
| Other identifiers: |
lappaol F |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 4080 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3R,4R)-3,4-bis[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one
4.2 InChI
InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1
4.3 InChIKey
YXNKOCZXAVTXTG-NYGVLQSXSA-N
4.4 Canonical SMILES
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CC4COC(=O)C4CC5=CC6=C(C(=C5)OC)OC(C6CO)C7=CC(=C(C=C7)O)OC
4.5 Isomeric SMILES
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)C[C@H]4COC(=O)[C@@H]4CC5=CC6=C(C(=C5)OC)O[C@@H]([C@H]6CO)C7=CC(=C(C=C7)O)OC
