Products 133697-68-4

CAS 133697-68-4 is the registry number for 3,5,6-trihydroxysitostane/ 98.88% (existing batch purity). Offered by: TargetMol. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg.

3,5,6-trihydroxysitostane/ 98.88% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

(3S,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol (CAS 133697-68-4) is a chemical compound with the molecular formula C29H52O3 and a molecular weight of 448.7 g/mol. IUPAC name: (3S,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol. InChIKey: VGSSUFQMXBFFTM-RUEXPLNMSA-N.

Identity
Molecular formulaC29H52O3
Molecular weight448.7 g/mol
IUPAC name(3S,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
InChIKeyVGSSUFQMXBFFTM-RUEXPLNMSA-N
SMILESCC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)C(C)C

Computed by PubChem (NCBI)

Synonyms: 3,5,6-trihydroxysitostane, stigmastan-3b,5a,6a-triol, orb2281148
Related forms of this compound
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol C29H52O3
Isomers (same molecular formula)
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylbenzene-1,4-diol C29H52O3