1. Primary Information
| English name: | Jasamplexoside C |
| CAS No.: | 147742-02-7 |
| Molecular formula: | C42H54O25 |
| Molecular weight: | 958.9 g/mol |
| SMILES: | COC(=O)C1=COC(C(=CCO)C1CC(=O)OCC=C2C(C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CC(=O)OCCC4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl (5Z)-4-[2-[(2E)-2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
4.2 InChI
InChI=1S/C42H54O25/c1-58-37(56)23-16-62-39(66-41-35(54)33(52)31(50)27(14-44)64-41)19(5-8-43)21(23)12-30(49)61-10-7-20-22(13-29(48)60-9-6-18-3-4-25(46)26(47)11-18)24(38(57)59-2)17-63-40(20)67-42-36(55)34(53)32(51)28(15-45)65-42/h3-5,7,11,16-17,21-22,27-28,31-36,39-47,50-55H,6,8-10,12-15H2,1-2H3/b19-5-,20-7+
4.3 InChIKey
TWSGITCUZJZFOR-MGCRVQRBSA-N
4.4 Canonical SMILES
COC(=O)C1=COC(C(=CCO)C1CC(=O)OCC=C2C(C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CC(=O)OCCC4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O
4.5 Isomeric SMILES
COC(=O)C1=COC(/C(=C\CO)/C1CC(=O)OC/C=C/2\C(C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CC(=O)OCCC4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O
