1. Primary Information
| English name: | Kaempferol 3,4 inverted exclamation marka-diglucoside 7-rhamnoside |
| CAS No.: | 1131009-93-2 |
| Molecular formula: | C33H40O20 |
| Molecular weight: | 756.7 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | - | 8160 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-hydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
4.2 InChI
InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(47-10)49-13-6-14(36)18-15(7-13)50-29(30(22(18)40)53-33-28(46)25(43)21(39)17(9-35)52-33)11-2-4-12(5-3-11)48-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16-,17-,19-,20-,21-,23+,24+,25+,26+,27-,28-,31?,32?,33?/m1/s1
4.3 InChIKey
IJQUDJBAKAHEBK-WCFGCZRRSA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O
4.5 Isomeric SMILES
C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O
