1. Primary Information
| English name: | 3-O-[5'''-O-feruloyl-beta-D-apiofuranosyl(1'''->2'')-beta-D-glucopyranosyl] rhamnocitrin |
| CAS No.: | 148210-00-8 |
| Molecular formula: | C37H38O18 |
| Molecular weight: | 770.7 g/mol |
| SMILES: | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(COC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)C6=CC=C(C=C6)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% | 4560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[5-[4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C37H38O18/c1-48-20-12-22(41)27-24(13-20)52-31(18-5-7-19(39)8-6-18)32(29(27)44)54-35-33(30(45)28(43)25(14-38)53-35)55-36-34(46)37(47,16-51-36)15-50-26(42)10-4-17-3-9-21(40)23(11-17)49-2/h3-13,25,28,30,33-36,38-41,43,45-47H,14-16H2,1-2H3/b10-4+
4.3 InChIKey
GGBVEOSSAOGQGK-ONNFQVAWSA-N
4.4 Canonical SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(COC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)C6=CC=C(C=C6)O)O
4.5 Isomeric SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(COC(=O)/C=C/C5=CC(=C(C=C5)O)OC)O)O)C6=CC=C(C=C6)O)O
