Gummiferin
dipotassium;(1S,9R,13R,15R)-15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate
| Molecular Formula | C31H44K2O18S2 |
|---|---|
| Molecular Weight | 847.0 g/mol |
| Topological Polar Surface Area | 309.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 846.1243 |
| Heavy Atoms | 53 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 35988-26-2 |
|---|---|
| SMILES | CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)[O-])C(=O)[O-])C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O.[K+].[K+] |
| InChIKey | FPJGZZYAZUKPAD-NBKMCPERSA-L |
📖 Product Overview
Gummiferin (CAS: 35988-26-2) is a chemical compound with molecular formula C31H44K2O18S2 and molecular weight 847.0 g/mol. Its IUPAC systematic name is dipotassium;(1S,9R,13R,15R)-15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate.
FPJGZZYAZUKPAD-NBKMCPERSA-L.
SMILES: CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)[O-])C(=O)[O-])C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O.[K+].[K+].
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