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| Name | Smilagenin Acetate |
|---|---|
| Synonyms | Nsc15488; Smilagenin, Acetate; Nsc40898 |
| Molecular Structure |  |
| Molecular Formula | C29H46O4 |
| Molecular Weight | 458.68 |
| CAS Registry Number | 4947-75-5 |
| SMILES | [C@H]34[C@@]([C@@H]2[C@@H](O[C@@]1(OC[C@@H](CC1)C)[C@H]2C)C3)(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](OC(=O)C)C6)C)C |
| InChI | 1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | LVRAKYNQYKVPIK-BSPYNPCNSA-N |
| Density | 1.113g/cm3 (Cal.) |
|---|---|
| Boiling point | 527.536°C at 760 mmHg (Cal.) |
| Flash point | 221.828°C (Cal.) |
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