Catalog Number
ACM23599544
Product Name
α-Mycolic acid, methoxy cis
Synonyms
2-(Tetracosane-1-yl)-3-hydroxy-21,22-methylene-39-methoxy-40-methyloctapentacontanoic acid
IUPAC Name
2-[1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl]hexacosanoic acid
Molecular Formula
C85H168O4
Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)O
InChI
AAIWMXAOKUXQTP-UHFFFAOYSA-N
InChI Key
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)
Percent Composition
C 81.40%, H 13.50%, O 5.10%
Storage Temperature
-20 °C