1. Primary Information
| English name: | Curcumin b-D-Glucuronide Triacetate Methyl Ester |
| CAS No.: | 1529769-81-0 |
| Molecular formula: | C34H36O15 |
| Molecular weight: | 684.6 g/mol |
| SMILES: | CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=C(C=C(C=C2)C=CC(=O)CC(=O)C=CC3=CC(=C(C=C3)O)OC)OC)C(=O)OC)OC(=O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 2.5mg | HPLC≥98% | 2400 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]oxane-2-carboxylate
4.2 InChI
InChI=1S/C34H36O15/c1-18(35)45-29-30(46-19(2)36)32(47-20(3)37)34(49-31(29)33(41)44-6)48-26-14-10-22(16-28(26)43-5)8-12-24(39)17-23(38)11-7-21-9-13-25(40)27(15-21)42-4/h7-16,29-32,34,40H,17H2,1-6H3/b11-7+,12-8+/t29-,30-,31-,32+,34+/m0/s1
4.3 InChIKey
HRLLMEXRAURVBG-IMLTWFSPSA-N
4.4 Canonical SMILES
CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=C(C=C(C=C2)C=CC(=O)CC(=O)C=CC3=CC(=C(C=C3)O)OC)OC)C(=O)OC)OC(=O)C
4.5 Isomeric SMILES
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(C=C(C=C2)/C=C/C(=O)CC(=O)/C=C/C3=CC(=C(C=C3)O)OC)OC)C(=O)OC)OC(=O)C
