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CAS#: 125516-10-1 Product: Repandusinic acid A No suppilers available for the product. |
| Name | Repandusinic acid A |
|---|---|
| Synonyms | repandusinic acid A |
| Molecular Structure |  |
| Molecular Formula | C41H30O28 |
| Molecular Weight | 970.66 |
| CAS Registry Number | 125516-10-1 |
| SMILES | OC(=O)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1[C@@H]2\C(=C\C(O)=O)C(=O)O[C@H]7[C@@H]6OC(=O)c3cc(O)c(O)c(O)c3c4c(cc(O)c(O)c4O)C(=O)OC[C@H]7O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]6O |
| InChI | 1S/C41H30O28/c42-13-1-8(2-14(43)24(13)49)36(59)69-41-31(56)34-32(66-40(63)12(6-19(47)48)23-22-11(5-17(46)27(52)30(22)55)38(61)67-33(23)35(57)58)18(65-41)7-64-37(60)9-3-15(44)25(50)28(53)20(9)21-10(39(62)68-34)4-16(45)26(51)29(21)54/h1-6,18,23,31-34,41-46,49-56H,7H2,(H,47,48)(H,57,58)/b12-6-/t18-,23+,31-,32-,33+,34-,41+/m1/s1 |
| InChIKey | WUTXIOAKRFKQHK-BWPKHYERSA-N |
| Density | 2.172g/cm3 (Cal.) |
|---|---|
| Boiling point | 1610.214°C at 760 mmHg (Cal.) |
| Flash point | 477.981°C (Cal.) |
| Refractive index | 1.896 (Cal.) |
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