7Alpha,12Alpha-Dihydroxy-5Beta-cholestan-3-one

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

7Alpha,12Alpha-Dihydroxy-5Beta-cholestan-3-one (CAS 547-97-7) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 1mg. Offered by: TRC.

brandTRC
catalog numberTRC-D452410-10MG
cas547-97-7
size10mg
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Structural formula: {0} (CAS {1})

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)

Synonyms: 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one, 5beta-Cholesten-7alpha,12alpha-diol-3-one, 7a,12a-Dihydroxy-5b-cholestan-3-one, 7alpha,12alpha-Dihydroxy-5beta-cholestane-3-one, (5beta,7alpha,12alpha)-7,12-Dihydroxycholestan-3-one, Cholestan-3-one, 7,12-dihydroxy-, (5beta,7alpha,12alpha)-, 5beta-cholestane-7alpha,12alpha-diol-3-one, 5beta-cholestan-7alpha,12alpha-diol-3-one, orb3179837, 7a,12a-Dihydroxy-5ss-cholestan-3-on
Isomers (same molecular formula)
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;hydrate C27H46O3
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H46O3
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H46O3
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H46O3
3,4-didecoxybenzaldehyde C27H46O3
(2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-2,3-diol C27H46O3
(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2S,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol C27H46O3
(3S,8R,9S,10R,13S,14S,17R)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol C27H46O3
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H46O3
(2R,3S)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-2,3-diol C27H46O3
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H46O3

Also listed as

7α,12α-Dihydroxy-5β-cholestan-3-one MedChemExpress CAS 547-97-7