α-Mycolic acid, methoxy cis
| Catalog Number | BL-M000439 |
| CAS Number | 23599-54-4 |
| Description | Mycolic acid is a long fatty acid found in the cell walls of the mycolata taxon, a group of bacteria that includes Mycobacterium tuberculosis, the pathogen of tuberculosis. |
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| IUPAC Name | (2R)-2-[(1R)-1-hydroxy-18-[(1R,2S)-2-[(17S,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]hexacosanoic acid |
| Synonyms | alpha-mycolic acid, methoxy cis; Mycolic acid IIa; Cyclopropaneeicosanoic acid, β-hydroxy-2-[(17S,18S)-17-methoxy-18-methylhexatriacontyl]-α-tetracosyl-, (αR,βR,1R,2S)- |
| Molecular Weight | 1254.24 |
| Molecular Formula | C85H168O4 |
| Boiling Point | 1049.7±40.0°C (Predicted) |
| Melting Point | 65-67°C |
| Purity | >99% |
| Density | 0.885±0.06 g/cm3 (Predicted) |
| Solubility | Soluble in Ethyl Acetate, Hexane |
| Appearance | White Solid |
| Shelf Life | 1 Year |
| Storage | Store at -20°C |
| Percent Composition | C 81.40%, H 13.50%, O 5.10% |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)O |
| InChI | InChI=1S/C85H168O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-32-39-45-51-57-63-69-75-82(85(87)88)83(86)76-70-64-58-52-46-40-33-29-31-37-43-49-55-61-67-73-80-78-81(80)74-68-62-56-50-44-38-34-35-41-47-53-59-65-71-77-84(89-4)79(3)72-66-60-54-48-42-36-30-22-20-18-16-14-12-10-8-6-2/h79-84,86H,5-78H2,1-4H3,(H,87,88)/t79-,80+,81-,82+,83+,84-/m0/s1 |
| InChI Key | AAIWMXAOKUXQTP-VYWHOSGGSA-N |
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