1. Primary Information
| English name: | 3'',4''-Di-O-p-coumaroylquercitrin |
| CAS No.: | 437615-43-5 |
| Molecular formula: | C39H32O15 |
| Molecular weight: | 740.7 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)OC(=O)C=CC5=CC=C(C=C5)O)OC(=O)C=CC6=CC=C(C=C6)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥97% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C39H32O15/c1-19-35(52-30(46)14-6-20-2-9-23(40)10-3-20)38(53-31(47)15-7-21-4-11-24(41)12-5-21)34(49)39(50-19)54-37-33(48)32-28(45)17-25(42)18-29(32)51-36(37)22-8-13-26(43)27(44)16-22/h2-19,34-35,38-45,49H,1H3/b14-6+,15-7+/t19-,34+,35-,38-,39-/m0/s1
4.3 InChIKey
VIRFRWFMTVPWDV-ZZEMBROASA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)OC(=O)C=CC5=CC=C(C=C5)O)OC(=O)C=CC6=CC=C(C=C6)O
4.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)OC(=O)/C=C/C6=CC=C(C=C6)O
