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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 18296-44-1 |
| Catalog No. | 2A-9012912 |
| Chinese Name | 戊曲酯，缬草三酯 |
| Synonyms | tolterodine; Baldrisedon; valepotriate; ValtratuM; Halazuchrome B; ValepotriatuM; EINECS 242-174-2 |
| Molecular Formula | C22H30O8 |
| Molecular Weight | 422.47 |
| Purity | ≥95.0 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 525.9±50.0 °C at 760 mmHg |
| Appearance | solid |
| Application | Valepotriate, isolated from Valeriana jatamansi, has antiepileptic and anticancer activities. |
| HTC | 29329990 |
| MDL Number | MFCD00868024 |
| SMILES | CC(C)CC(O[C@H](OC=C1COC(C)=O)[C@@]2([H])C1=C[C@H](OC(CC(C)C)=O)[C@@]23OC3)=O |
| InChI | 1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1 |
| InChI Key | BDIAUFOIMFAIPU-KVJIRVJXSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/12912_1_18296_44_1.pdf |
| Transport Info | Product name: Valerin |
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