Products 115538-85-7

CAS 115538-85-7 appears in our catalog under these names: 7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid, >95% (HPLC), 7-Hydroxy-3-oxo-cholest-4-en-26-oic acid, 7-Hydroxy-3-oxo-Cholest-4-en-26-oic acid, 98.18%. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 2,5mg, 25mg, 10mg, 5mg, 50mg, 2.5 mg.

7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid, >95% (HPLC)
TRC
  • size: 2,5mg, 25mg
  • Variants: 2
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7-Hydroxy-3-oxo-cholest-4-en-26-oic acid
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
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7-Hydroxy-3-oxo-Cholest-4-en-26-oic acid, 98.18%
MedChemExpress
  • size: 2.5 mg
  • Variants: 1
from 1991.53
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Structural formula: {0} (CAS {1})

7alpha-hydroxy-3-oxo-4-cholestenoic acid is a cholestanoid that is cholest-4-en-26-oic acid substituted by an alpha-hydroxy group at position 7 and an oxo group at position 3. It is an intermediate metabolite in the bile acid synthesis. It has a role as a human metabolite. It is a monocarboxylic acid, a 7alpha-hydroxy steroid, a steroid acid, a 3-oxo-Delta(4) steroid and a cholestanoid. It is a conjugate acid of a 7alpha-hydroxy-3-oxo-4-cholestenoate.

Source: ChEBI

Identity
Molecular formulaC27H42O4
Molecular weight430.6 g/mol
IUPAC name(6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-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
InChIKeySATGKQGFUDXGAX-MYWFJNCASA-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](CC4=CC(=O)CC[C@]34C)O)C

Computed by PubChem (NCBI)

Synonyms: 7alpha-Hydroxy-3-oxo-4-cholestenoic acid, 7-Hoca, 7alpha-hydroxy-3-oxocholest-4-en-26-oic acid, Cholest-4-en-26-oic acid, 7-hydroxy-3-oxo-, (7alpha)-, 7.alpha.-hydroxy-3-oxo-4-cholestenoic acid, 7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid, 7alpha-Hydroxy-3-oxo-4-cholestenoate, 7alpha-hydroxy-3-oxocholest-4-en-27-oic acid, 7-Hydroxy-3-oxocholest-4-en-26-oic acid, (7alpha)7-hydroxy-3-oxo--Cholest-4-en-26-oate
Related forms of this compound
(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-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 C27H42O4
Isomers (same molecular formula)
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one C27H42O4
methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol C27H42O4
methyl (4R)-4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1R,2S,4S,5'R,6R,7S,8S,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]-8,16-diol C27H42O4
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-4-one C27H42O4
(2R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4
methyl (4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one C27H42O4
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate C27H42O4
(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4