Products 116229-82-4

CAS 116229-82-4 is the registry number for (3a,5beta,7a,12a,23S)-Cholestane-3,7,12,23,25-pentol-d6. Offered by: TRC. Available pack sizes: 1mg, 2,5mg.

(3a,5beta,7a,12a,23S)-Cholestane-3,7,12,23,25-pentol-d6
TRC
  • size: 1mg, 2,5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R,4S)-7,7,7-trideuterio-4,6-dihydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol (CAS 116229-82-4) is a chemical compound with the molecular formula C27H48O5 and a molecular weight of 458.7 g/mol. IUPAC name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R,4S)-7,7,7-trideuterio-4,6-dihydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol. InChIKey: OXSBBBPDYVCAKC-PRZPORHKSA-N.

Identity
Molecular formulaC27H48O5
Molecular weight458.7 g/mol
IUPAC name(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R,4S)-7,7,7-trideuterio-4,6-dihydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
InChIKeyOXSBBBPDYVCAKC-PRZPORHKSA-N
SMILES[2H]C([2H])([2H])C(C[C@H](C[C@@H](C)[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)O)C)O)O)C)O)(C([2H])([2H])[2H])O

Computed by PubChem (NCBI)

Synonyms: (3a,5beta,7a,12a,23S)-Cholestane-3,7,12,23,25-pentol-d6
Related forms of this compound
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol C27H48O5
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol C27H48O5
Isomers (same molecular formula)
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol C27H48O5
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol C27H48O5