Products 42921-40-4

CAS 42921-40-4 is the registry number for (3Beta,5Beta,7Alpha,12Alpha)-3-(Formyloxy)-7,12-dihydroxycholan-24-oic Acid Methyl Ester. Offered by: TRC. Available pack sizes: 2,5g, 250mg.

(3Beta,5Beta,7Alpha,12Alpha)-3-(Formyloxy)-7,12-dihydroxycholan-24-oic Acid Methyl Ester
TRC
  • size: 2,5g, 250mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3S,5R,7R,10S,12S,13R,14S)-3-formyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 42921-40-4) is a chemical compound with the molecular formula C26H42O6 and a molecular weight of 450.6 g/mol. IUPAC name: methyl (4R)-4-[(3S,5R,7R,10S,12S,13R,14S)-3-formyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: FWYFJXRFKRLLLV-APFXKBQYSA-N.

Identity
Molecular formulaC26H42O6
Molecular weight450.6 g/mol
IUPAC namemethyl (4R)-4-[(3S,5R,7R,10S,12S,13R,14S)-3-formyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyFWYFJXRFKRLLLV-APFXKBQYSA-N
SMILESC[C@H](CCC(=O)OC)C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)OC=O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: (3b,5b,7a,12a)-3-(Formyloxy)-7,12-dihydroxycholan-24-oic Acid Methyl Ester, Methyl 3beta-(Formyloxy)-7alpha,12alpha-dihydroxycholanate
Isomers (same molecular formula)
methyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate C26H42O6