1. Primary Information
| English name: | Potassium sodium dehydroandrographolide succinate |
| CAS No.: | 863319-40-8 |
| Molecular formula: | C28H34KNAO10 |
| Molecular weight: | 592.7 g/mol |
| SMILES: | CC12CCC(C(C1CCC(=C)C2CC=C3C=COC3=O)(C)COC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-].[Na+].[K+] |
| Structural class: | |
| Other identifiers: |
potassium sodium dehydroandrographolide succinate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 1024 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
potassium;sodium;4-[[(1R,2R,4aS,5R,8aS)-2-(3-carboxylatopropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoate
4.2 InChI
InChI=1S/C28H36O10.K.Na/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30;;/h5,13,15,19-21H,1,4,6-12,14,16H2,2-3H3,(H,29,30)(H,31,32);;/q;2*+1/p-2/b18-5+;;/t19-,20+,21-,27+,28+;;/m1../s1
4.3 InChIKey
MZXSMTFMRXUGGI-RYVVASIESA-L
4.4 Canonical SMILES
CC12CCC(C(C1CCC(=C)C2CC=C3C=COC3=O)(C)COC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-].[Na+].[K+]
4.5 Isomeric SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\C=COC3=O)(C)COC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-].[Na+].[K+]
