1. Primary Information
| English name: | Heteronoside |
| CAS No.: | 852638-61-0 |
| Molecular formula: | C36H38O20 |
| Molecular weight: | 790.7 g/mol |
| SMILES: | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC)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% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl] 4-hydroxy-3,5-dimethoxybenzoate
4.2 InChI
InChI=1S/C36H38O20/c1-12-24(41)32(55-34(48)14-7-20(49-2)25(42)21(8-14)50-3)30(47)35(52-12)51-11-22-26(43)28(45)29(46)36(54-22)56-33-27(44)23-18(40)9-15(37)10-19(23)53-31(33)13-4-5-16(38)17(39)6-13/h4-10,12,22,24,26,28-30,32,35-43,45-47H,11H2,1-3H3
4.3 InChIKey
LOMRWTBYEBGQIJ-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC)O)OC)O
4.5 Isomeric SMILES
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