7α,12α-Dihydroxy-5β-cholestan-3-one

cas: 547-97-7 — see every product listed under this CAS number, including other names

7α,12α-Dihydroxy-5β-cholestan-3-one (CAS 547-97-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas547-97-7
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7alpha,12alpha-dihydroxy-5beta-cholestan-3-one is a 3-oxo-5beta-steroid that is 5beta-cholestan-3-one bearing two additional hydroxy substituents at positions 7alpha and 12alpha. It has a role as a mouse metabolite and a human metabolite. It is a 3-oxo-5beta-steroid, a 7alpha-hydroxy steroid and a 12alpha-hydroxy steroid. It derives from a hydride of a 5beta-cholestane.

Source: ChEBI

Identity
Molecular formulaC27H46O3
Molecular weight418.7 g/mol
IUPAC name(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChIKeyHHVQPBXBALLUDF-QORHGLQKSA-N
SMILESC[C@H](CCCC(C)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(CCC(=O)C4)C)O)O)C

Computed by PubChem (NCBI)

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