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methylbetulinate; betulinic acid methyl ester


Name(s) methylbetulinate; betulinic acid methyl ester
Scientific name(s) methyl betulinate; betulinic acid methylester; chembl295602; nsc152532; 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; (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1h-cyclopenta[a]chrysene-3a-carboxylate
Formula C31H50O3
Molecular mass 470.74
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
SMILE Not available
CAS ID 2259-06-5
PubChem ID 73493
DrugBank ID Not available
CHEBI ID Not available
Description Not available