For research use only. Not for therapeutic Use.
Methyl betulinate(cas 2259-06-5) is the methyl ester of betulinic acid, a pentacyclic lupane terpene isolated as a constituent of various tree
species, including birch. In Australia, methyl betulinate was isolated from Akania bidwillii (syn. Akania lucens) by Ritchie and
Taylor, University of Sydney in the late 1960s. More recently, methyl betulinate has been reported to be active in a number of
bioassays, in particular against the malaria parasite, Plasmodium falciparum, and against human melanoma cell lines.
| Catalog Number | R067582 |
| CAS Number | 2259-06-5 |
| Molecular Formula | C31H50O3 |
| Purity | 95% |
| Target | Parasite |
| Appearance | White solid |
| Analysis method | HPLC |
| IUPAC Name | methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| InChI | InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1 |
| InChIKey | XNZIMRUZBOZIBC-JVRMVBBZSA-N |
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC |
| Reference | 1. Some constituents of Akania lucens. Krajniak E. et al., Aust. J. Chem., 1969, 22, 1331.<br> |
