1. Primary Information
| English name: | Bisdemethoxyboehmenan |
| CAS No.: | 146918-26-5 |
| Molecular formula: | C38H36O10 |
| Molecular weight: | 652.7 g/mol |
| SMILES: | COC1=CC(=CC2=C1OC(C2COC(=O)C=CC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)CCCOC(=O)C=CC5=CC=C(C=C5)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-[2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C38H36O10/c1-44-33-22-27(11-16-32(33)41)37-31(23-47-36(43)18-10-25-7-14-29(40)15-8-25)30-20-26(21-34(45-2)38(30)48-37)4-3-19-46-35(42)17-9-24-5-12-28(39)13-6-24/h5-18,20-22,31,37,39-41H,3-4,19,23H2,1-2H3/b17-9+,18-10+
4.3 InChIKey
UYFZAVXVCOVJER-BEQMOXJMSA-N
4.4 Canonical SMILES
COC1=CC(=CC2=C1OC(C2COC(=O)C=CC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)CCCOC(=O)C=CC5=CC=C(C=C5)O
4.5 Isomeric SMILES
COC1=CC(=CC2=C1OC(C2COC(=O)/C=C/C3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)CCCOC(=O)/C=C/C5=CC=C(C=C5)O
