Products 2259-06-5

CAS 2259-06-5 appears in our catalog under these names: Betulinic Acid methyl ester, Betulinic acid methyl ester. Offered by: GLPBio, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 25mg.

Betulinic Acid methyl ester
GLPBio
  • size: 5mg, 1mg
  • Variants: 2
from 1416.13
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Betulinic acid methyl ester
MedChemExpress
  • size: 10mg, 25mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

Betulinic acid methyl ester is a triterpenoid.

Source: ChEBI

Identity
Molecular formulaC31H50O3
Molecular weight470.7 g/mol
IUPAC namemethyl (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
InChIKeyXNZIMRUZBOZIBC-JVRMVBBZSA-N
SMILESCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)OC

Computed by PubChem (NCBI)

Synonyms: METHYL BETULINATE, Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3beta)-, Betulinic acid methyl ester, betulinic acid methylester, methyl betuliate, Methyl 3-hydroxylup-20(29)-en-28-oate, 28-O-Methylbetulinic Acid, orb1684733, Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-, Methyl 3beta-Hydroxylup-20(29)-en-28-oate
Isomers (same molecular formula)
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] dodecanoate C31H50O3
(2R)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methyl-5-methylideneheptanoic acid C31H50O3
2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid C31H50O3
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid C31H50O3