Ursonic acid methyl ester

cas: 989-72-0 — see every product listed under this CAS number, including other names

Ursonic acid methyl ester (CAS 989-72-0) is a chemical reagent available from Chemat. Available pack sizes: 1mg, Get quote. Offered by: GLPBio, MedChemExpress.

brandGLPBio
catalog numberGC61366-1
cas989-72-0
size1mg
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GLPBio 1mg 1022.97 Pln
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Structural formula: {0} (CAS {1})

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 (CAS 989-72-0) is a chemical compound with the molecular formula C31H48O3 and a molecular weight of 468.7 g/mol. IUPAC name: 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. InChIKey: OGCQKMJALQHROV-ZOPQKVJUSA-N.

Identity
Molecular formulaC31H48O3
Molecular weight468.7 g/mol
IUPAC namemethyl (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
InChIKeyOGCQKMJALQHROV-ZOPQKVJUSA-N
SMILESC[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)OC

Computed by PubChem (NCBI)

Synonyms: Ursonic acid methyl ester, Methyl 3-dehydroxy-3-oxoursolate, orb1690105
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
(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
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 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

Ursonic acid methyl ester MedChemExpress CAS 989-72-0