Products 131984-82-2

CAS 131984-82-2 is the registry number for 3,6,19-Trihydroxy-23-oxo-12-ursen-28-oic acid. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, 50mg, Get quote.

3,6,19-Trihydroxy-23-oxo-12-ursen-28-oic acid
Biosynth, MedChemExpress
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(1R,2R,4aS,6aR,6aS,6bR,8R,8aR,9S,10S,12aR,14bS)-9-formyl-1,8,10-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid (CAS 131984-82-2) is a chemical compound with the molecular formula C30H46O6 and a molecular weight of 502.7 g/mol. IUPAC name: (1R,2R,4aS,6aR,6aS,6bR,8R,8aR,9S,10S,12aR,14bS)-9-formyl-1,8,10-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid. InChIKey: NBJMEEGTJUXGLI-UHVFENMYSA-N.

Identity
Molecular formulaC30H46O6
Molecular weight502.7 g/mol
IUPAC name(1R,2R,4aS,6aR,6aS,6bR,8R,8aR,9S,10S,12aR,14bS)-9-formyl-1,8,10-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKeyNBJMEEGTJUXGLI-UHVFENMYSA-N
SMILESC[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)C=O)O)C)O)C)[C@@H]2[C@]1(C)O)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 3,6,19-Trihydroxy-23-oxo-12-ursen-28-oic acid, 3beta,6beta,19alpha-trihydroxy-23-oxo-urs-12-en-28-oic acid, 23-Oxo-uncaric acid, 3beta,6beta,19alpha-Trihydroxy-23-oxours-12-en-28-oic acid, orb1683638, (3,4,6)-3,6,19-Trihydroxy-23-oxours-12-en-28-oic acid, Urs-12-en-28-oic acid, 3,6,19-trihydroxy-23-oxo-, (3beta,4alpha,6beta)-
Isomers (same molecular formula)
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid C30H46O6
2023822-39-9 C30H46O6
(3S,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid C30H46O6
(6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C30H46O6
6-[6-(2-carboxyethyl)-7-(1-carboxyethylidene)-3a,5a,9b-trimethyl-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid C30H46O6
(1R,2R,4aS,6aS,6aS,6bR,8aS,10R,12S,12aR,14bS)-1,10,12-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-11-oxo-3,4,5,6,6a,7,8,8a,10,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid C30H46O6