Ursodesoxycholic Acid Diformate

cas: 6159-50-8 — see every product listed under this CAS number, including other names

Ursodesoxycholic Acid Diformate (CAS 6159-50-8) is a chemical reagent available from Chemat. Available pack sizes: 2,5g. Offered by: TRC.

brandTRC
catalog numberTRC-U852915-2.5G
cas6159-50-8
size2,5g
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 6159-50-8) is a chemical compound with the molecular formula C26H40O6 and a molecular weight of 448.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: LMKQATDCJXKIJD-LBSADWJPSA-N.

Identity
Molecular formulaC26H40O6
Molecular weight448.6 g/mol
IUPAC name(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyLMKQATDCJXKIJD-LBSADWJPSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)C

Computed by PubChem (NCBI)

Synonyms: 3Alpha,7beta-diformyloxy-5beta-cholan-24-oic-acid, Ursodesoxycholic Acid Diformate, LMKQATDCJXKIJD-LBSADWJPSA-N, 3alpha,7beta-diformyloxy-5beta-cholan-24-oic acid
Isomers (same molecular formula)
(5S,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(oxan-2-yloxy)acetyl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C26H40O6
(2R,3R,4S,5S,6R)-2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H40O6