
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3779-59-7 |
| Catalog No. | 2A-9009798 |
| Chinese Name | 升麻醇 |
| Molecular Formula | C30H48O5 |
| Molecular Weight | 620.81 |
| Purity | ≥98.0 (HPLC) |
| Density | 1.22g/cm3 |
| Boiling Point | 610.6ºC at 760mmHg |
| Storage Condition | 2-8°C, sealed, dry |
| Application | Cimigenol is an active ingredient in Cimicifuga and has anti-tumor activity. |
| SMILES | O1[C@H]([C@@H]([C@H]([C@H](C1)O)O)O)O[C@@H]2C([C@H]3[C@@]4([C@]5([C@H]([C@]6([C@@]([C@@H]7[C@@]8(O[C@@H]([C@H](O8)C(O)(C)C)C[C@H]7C)[C@@H]6O)(CC5)C)C)CC3)C4)CC2)(C)C |
| InChI | 1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1 |
| InChI Key | BTPYUWOBZFGKAI-BKJHYQRZSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/9798_1_3779_59_7.pdf |
| Transport Info | Product Name: Cimicidol |
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