1. Primary Information
| English name: | Phyllostadimer A |
| CAS No.: | 638203-32-4 |
| Molecular formula: | C42H50O16 |
| Molecular weight: | 810.8 g/mol |
| SMILES: | COC1=CC(=CC(=C1O)OC)C2C(COC(CO2)C(C3=CC(=C(C=C3)O)OC)O)C4COC(COC4C5=CC(=C(C(=C5)OC)O)OC)C(C6=CC(=C(C=C6)O)OC)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 3600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-[(2S,5S,6R)-6-[(2R,5R,6S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol
4.2 InChI
InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)43)37(45)35-19-57-41(23-13-31(51-3)39(47)32(14-23)52-4)25(17-55-35)26-18-56-36(38(46)22-8-10-28(44)30(12-22)50-2)20-58-42(26)24-15-33(53-5)40(48)34(16-24)54-6/h7-16,25-26,35-38,41-48H,17-20H2,1-6H3/t25-,26+,35-,36+,37?,38?,41+,42-
4.3 InChIKey
LXZQSRKEZKPRBC-GMNNXKACSA-N
4.4 Canonical SMILES
COC1=CC(=CC(=C1O)OC)C2C(COC(CO2)C(C3=CC(=C(C=C3)O)OC)O)C4COC(COC4C5=CC(=C(C(=C5)OC)O)OC)C(C6=CC(=C(C=C6)O)OC)O
4.5 Isomeric SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@H](CO[C@H](CO2)C(C3=CC(=C(C=C3)O)OC)O)[C@@H]4CO[C@@H](CO[C@@H]4C5=CC(=C(C(=C5)OC)O)OC)C(C6=CC(=C(C=C6)O)OC)O
