| Name of the Catalyst: | Withaferin A | |
| Botanical Source: | Withania somnifera | |
| IUPAC Name: | 4β,5β,6β,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxo-ergosta-2,24-dien-26-oic acid δ-lactone | |
| Synonyms: | NSC 101088; NSC-101088; NSC101088; NSC 273757; NSC-273757; NSC273757 | |
| CAS Number: | 5119-48-2 | Chemical Structure: |
| Molecular Formula: | C28H38O6 | |
| Molecular weight: | 470.60 | |
| Appearance: | White crystalline powder | |
| Purity: | >99.6 % | |
| HRMS(ESI): | m/z 471.45 [M]+ | |
| Specific Rotation[a]D 20: | + 146.8337o, (C = 1%w/v in CHCl3) | |
| Smiles: | O=C/1O[C@H](CC(=C\1CO)\C)[C@@H](C)[C@H]6CC[C@@H]4[C@]6(C)CC[C@@H]3[C@]5(C(=O)\C=C/[C@H](O)[C@]52O[C@@H]2C[C@H]34)C | |
| InChI Code: | InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19?,20-,21+,23-,24+,26+,27-,28+/m0/s1 | |
| InChI Key: | DBRXOUCRJQVYJQ-NPRZOXALSA-N | |
| MDL NUMBER: | MFCD10687098 | |
| PubChem ID: | 45489105 | |
| Inventory status: | Available. | |
CoA will be provided on request.