Products 2097-89-4

CAS 2097-89-4 is the registry number for Tri-O-formylcholic Acid. Offered by: TRC. Available pack sizes: 2,5g.

Tri-O-formylcholic Acid
TRC
  • size: 2,5g
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-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 2097-89-4) is a chemical compound with the molecular formula C27H40O8 and a molecular weight of 492.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-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: OHJFKWAMNYLNEV-OCCHXLOTSA-N.

Identity
Molecular formulaC27H40O8
Molecular weight492.6 g/mol
IUPAC name(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-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
InChIKeyOHJFKWAMNYLNEV-OCCHXLOTSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)OC=O)C

Computed by PubChem (NCBI)

Synonyms: Cholan-24-oic acid, 3,7,12-tris(formyloxy)-, (3alpha,5beta,7alpha,12alpha)-, 3a,7a,12a-triformyloxy-5b-cholan-24-oic acid, (3Alpha,5beta,7alpha,12alpha)-3,7,12-tris(formyloxy)cholan-24-oic acid
Isomers (same molecular formula)
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C27H40O8
[(3aR,5aR,6S,9R,10aR)-8-formyl-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-9-yl] acetate C27H40O8
(1R,2S,4R,5R,8R,9S,11R)-2-[[(2R,3S,4S,5S,6R)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-formyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid C27H40O8