3-oxo-4-cholestenoic acid

cas: 309762-85-4 — see every product listed under this CAS number, including other names

3-oxo-4-cholestenoic acid (CAS 309762-85-4) is a chemical reagent available from Chemat. Available pack sizes: 1MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number700083P-1MG
cas309762-85-4
size1MG
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Sigma-Aldrich 1MG 2220.00 Pln
Structural formula: {0} (CAS {1})

(25R)-Delta(4)-dafachronic acid is a cholestanoid that is (5alpha,25R)-cholest-4-en-26-oic acid substituted at position 3 by an oxo group. It is a conjugate acid of a (25R)-Delta(4)-dafachronate.

Source: ChEBI

Identity
Molecular formulaC27H42O3
Molecular weight414.6 g/mol
IUPAC name(2R,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
InChIKeyPSXQJZDFWDKBIP-MNVVPKPGSA-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]2CCC4=CC(=O)CC[C@]34C)C

Computed by PubChem (NCBI)

Synonyms: (25R)-Delta(4)-dafachronic acid, 3-oxo-4-cholestenoic acid, (25R)-3-ketocholest-4-en-26-oic acid, Cholest-4-en-26-oic acid, 3-oxo, (25R)-3-oxocholest-4-en-26-oic acid, (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, 3-oxo-4-cholesten-26-oate, 3-Oxo-4-cholesten-26-oic acid, PSXQJZDFWDKBIP-MNVVPKPGSA-N, (25R),26-3-keto-4-cholestenoic acid
Related forms of this compound
(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O3
Isomers (same molecular formula)
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol C27H42O3
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol C27H42O3
[(1S,4S,5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol C27H42O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H42O3
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] nonanoate C27H42O3
[(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol C27H42O3
(3Z,5R)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-5-hydroxy-2-methylidenecyclohexan-1-one C27H42O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H42O3
[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate C27H42O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] octanoate C27H42O3
(2S,6R)-6-[(5S,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O3