3ALPHA,7ALPHA-DIHYDROXY-5BETA-CHOLESTANO

cas: 17974-66-2 — see every product listed under this CAS number, including other names

3ALPHA,7ALPHA-DIHYDROXY-5BETA-CHOLESTANO (CAS 17974-66-2) is a chemical reagent available from Chemat. Available pack sizes: 1MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number700365P-1MG
cas17974-66-2
size1MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

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Sigma-Aldrich 1MG 952.00 Pln

properties

purityNo data
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid is a cholestanoid that is 5beta-cholestan-26-oic acid substituted by alpha-hydroxy groups at positions 3 and 7 respectively. It has a role as a mouse metabolite and a human metabolite. It is a dihydroxy monocarboxylic acid, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid and a cholestanoid. It derives from a hydride of a 5beta-cholestane.

Source: ChEBI

Identity
Molecular formulaC27H46O4
Molecular weight434.7 g/mol
IUPAC name(6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-methylheptanoic acid
InChIKeyITZYGDKGRKKBSN-HKFUITGCSA-N
SMILESC[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid, 3alpha,7alpha-Dihydroxycoprostanic acid, 3a,7a-Dihydroxycoprostanic acid, 3a,7a-Dihydroxycoprostanate, 3a,7a-Dihydroxy-5b-cholestanoate, 3a,7a-Dihydroxy-5b-cholestanoic acid, 3a,7a-Hydroxy-5b-cholestan-26-oate, 3a,7a-Dihydroxy-5b-cholestan-26-oate, 3a,7a-Hydroxy-5b-cholestan-26-oic acid, 3a,7a-Dihydroxy-5b-cholestan-26-oic acid
Related forms of this compound
(2R,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-methylheptanoic acid C27H46O4
(6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-(trideuteriomethyl)heptanoic acid C27H46O4
(2S,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-methylheptanoic acid C27H46O4
Isomers (same molecular formula)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate C27H46O4
methyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-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 C27H46O4
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one C27H46O4

Also listed as

3α,7α-Dihydroxycoprostanic acid Chemat Brand CAS 17974-66-2
3Alpha,7Alpha-Dihydroxycoprostanic Acid, >95% (HPLC) TRC CAS 17974-66-2
3a,7a-Dihydroxycoprostanic Acid, >95% (HPLC) TRC CAS 17974-66-2
3α,7α–Dihydroxycoprostanic acid GLPBio CAS 17974-66-2
3α,7α-Dihydroxycoprostanic acid, 99.0% MedChemExpress CAS 17974-66-2