Deloxolone

cas: 68635-50-7 — see every product listed under this CAS number, including other names

Deloxolone (CAS 68635-50-7) is a chemical reagent available from Chemat. Available pack sizes: 100mg, Get quote. Offered by: TRC, MedChemExpress.

brandTRC
catalog numberTRC-D230688-100MG
cas68635-50-7
size100mg
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Structural formula: {0} (CAS {1})

(2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid (CAS 68635-50-7) is a chemical compound with the molecular formula C34H52O6 and a molecular weight of 556.8 g/mol. IUPAC name: (2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid. InChIKey: VRFVGZRKFFTPCG-KYHPDETOSA-N.

Identity
Molecular formulaC34H52O6
Molecular weight556.8 g/mol
IUPAC name(2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
InChIKeyVRFVGZRKFFTPCG-KYHPDETOSA-N
SMILESC[C@]12CC[C@](C[C@H]1[C@H]3CC=C4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Deloxolone, Deloxolone [INN], Deloxolonum, deloxolona, 3beta-(3-Carboxypropionyloxy)-9(11)-oleanen-30-saeure, 3beta-Hydroxyolean-9(11)-en-30-oic acid, hydrogen succinate, Deloxolone sodium, orb1707992, (3,20)-3-(3-Carboxy-1-oxopropoxy)olean-9(11)-en-29-oic acid

Also listed as

(3β,20β)-3-(3-Carboxy-1-oxopropoxy)olean-9(11)-en-29-oic acid Biosynth CAS 68635-50-7