5β,25D-Cholestan-26-oic acid, 3α,7α-dihydroxy

cas: 23740-16-1 — see every product listed under this CAS number, including other names

5β,25D-Cholestan-26-oic acid, 3α,7α-dihydroxy (CAS 23740-16-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-D093702
cas23740-16-1
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Structural formula: {0} (CAS {1})

(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid is a 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid. It is a conjugate acid of a (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oate.

Source: ChEBI

Identity
Molecular formulaC27H46O4
Molecular weight434.7 g/mol
IUPAC name(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
InChIKeyITZYGDKGRKKBSN-RXDNHGQQSA-N
SMILESC[C@H](CCC[C@@H](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: (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid, (25R)-3?,7?-Dihydroxy-5?-cholestan-26-oic Acid, 5|A,25D-Cholestan-26-Oic Acid, 3|A,7|A-Dihydroxy, Cholestan-26-oic acid, 3,7-dihydroxy-, (3a,5b,7a,25R)-
Related forms of this compound
(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
(3S,7S,10R,13R,17R)-17-[(2R,5S,6S)-5,7-dihydroxy-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 C27H46O4
(3S,7S,10R,13R,17R)-17-[(2R)-6,7-dihydroxy-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 C27H46O4
(6R)-6-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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
(3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-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]phenanthren-6-one C27H46O4
(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanal C27H46O4

Also listed as

(25R)-3α,7α-Dihydroxy-5β-cholestan-26-oic Acid, >95% (HPLC) TRC CAS 23740-16-1