1. Primary Information
| English name: | CID 125115457 |
| CAS No.: | 870480-56-1 |
| Molecular formula: | C40H42O14 |
| Molecular weight: | 746.8 g/mol |
| SMILES: | COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)CC3COC(=O)C3(CC4=CC(=C(C=C4)O)OC)O)OC)O)CC5COC(=O)C5(CC6=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% | 5120 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3S,4S)-3-hydroxy-4-[[4-hydroxy-3-[2-hydroxy-5-[[(3S,4S)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-3-methoxyphenyl]-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
4.2 InChI
InChI=1S/C40H42O14/c1-49-31-13-21(5-7-29(31)41)17-39(47)25(19-53-37(39)45)9-23-11-27(35(43)33(15-23)51-3)28-12-24(16-34(52-4)36(28)44)10-26-20-54-38(46)40(26,48)18-22-6-8-30(42)32(14-22)50-2/h5-8,11-16,25-26,41-44,47-48H,9-10,17-20H2,1-4H3/t25-,26-,39-,40-/m0/s1
4.3 InChIKey
UFFFFORCHIKZSY-YSECKRNDSA-N
4.4 Canonical SMILES
COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)CC3COC(=O)C3(CC4=CC(=C(C=C4)O)OC)O)OC)O)CC5COC(=O)C5(CC6=CC(=C(C=C6)O)OC)O
4.5 Isomeric SMILES
COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C[C@H]3COC(=O)[C@@]3(CC4=CC(=C(C=C4)O)OC)O)OC)O)C[C@H]5COC(=O)[C@@]5(CC6=CC(=C(C=C6)O)OC)O
