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| Catalog Number | CI-SC-1280 |
| Product Name | Madecassic Acid |
| CAS | 18449-41-7 |
| Structure |  |
| Synonyms | 2α,3β,6β,23-Tetrahydroxyurs-12-en-28-oic acid |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Molecular Weight | 504.7 g/mol |
| Molecular Formula | C30H48O6 |
| InChI | InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1 |
| InChI Key | PRAUVHZJPXOEIF-AOLYGAPISA-N |
| Boiling Point | 641.7±55.0 °C |
| Melting Point | 270 °C |
| Purity | 95% |
| Density | 1.23 g/mL |
| Appearance | Solid |
| Highest Usage In Residency Products | 0.004 |
| Isomeric SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O |
| pKa | 4.63±0.70 |
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