(2α,3β,4α)–2,3,19–Trihydroxyurs–12–ene–23,28–dioic acid

cas: 132282-70-3 — see every product listed under this CAS number, including other names

(2α,3β,4α)–2,3,19–Trihydroxyurs–12–ene–23,28–dioic acid (CAS 132282-70-3) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC68525-5
cas132282-70-3
size5mg
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Available pack sizes

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GLPBio 5mg 4353.14 Pln

properties

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

(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-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 (CAS 132282-70-3) is a chemical compound with the molecular formula C30H46O7 and a molecular weight of 518.7 g/mol. IUPAC name: (2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-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. InChIKey: FYGSMJAMPMZYFS-LQXQUUHISA-N.

Identity
Molecular formulaC30H46O7
Molecular weight518.7 g/mol
IUPAC name(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-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
InChIKeyFYGSMJAMPMZYFS-LQXQUUHISA-N
SMILESC[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)C(=O)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: (2|A,3|A,4|A)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid, (2alpha,3beta,4alpha)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid, orb1981834, (2| cent,3|?,4| cent)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid
Isomers (same molecular formula)
[(1R,2S,6R,10S,11R,13S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate C30H46O7
2-methyl-4-oxo-6-(3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)heptanoic acid C30H46O7
(2R,6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid C30H46O7
(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione C30H46O7
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C30H46O7
(3S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione C30H46O7
(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one C30H46O7

Also listed as

(2α,3β,4α)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid, ≥98%, ≥98% Chemat CAS 132282-70-3
(2α,3β,4α)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid MedChemExpress CAS 132282-70-3