Betulonic Acid methyl ester

cas: 4356-31-4 — see every product listed under this CAS number, including other names

Betulonic Acid methyl ester (CAS 4356-31-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 10mg, 25mg, 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC48499-1
cas4356-31-4
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 615.76 Pln
GLPBio 10mg 2015.23 Pln
GLPBio 25mg 3924.88 Pln
GLPBio 5mg 1322.52 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Methyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate (CAS 4356-31-4) is a chemical compound with the molecular formula C31H48O3 and a molecular weight of 468.7 g/mol. IUPAC name: methyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate. InChIKey: XXCPTCZYFSRIGU-DSBZJMBESA-N.

Identity
Molecular formulaC31H48O3
Molecular weight468.7 g/mol
IUPAC namemethyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
InChIKeyXXCPTCZYFSRIGU-DSBZJMBESA-N
SMILESCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)OC

Computed by PubChem (NCBI)

Synonyms: methyl betulonate, Betulonic acid methyl ester, Betulonicacidmethylester, orb2565796
Isomers (same molecular formula)
methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate C31H48O3
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate C31H48O3
(1R,4S,5S,8R,9R,12S,13S,16S)-19-methoxy-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol C31H48O3
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid C31H48O3
(3S,5R)-3-[(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]-5-(3-methylbut-2-en-2-yl)oxolan-2-one C31H48O3

Also listed as

Methyl betulonate MedChemExpress CAS 4356-31-4