4alpha-Carboxy-cholest-7-en-3beta-ol

cas: 27590-95-0 — see every product listed under this CAS number, including other names

4alpha-Carboxy-cholest-7-en-3beta-ol (CAS 27590-95-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-C181120-100MG
cas27590-95-0
size100mg
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Structural formula: {0} (CAS {1})

3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate is a cholestanoid.

Source: ChEBI

Identity
Molecular formulaC28H46O3
Molecular weight430.7 g/mol
IUPAC name(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
InChIKeyFXBZYWGMTFSORP-QPCSTCLVSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C(=O)O)O)C)C

Computed by PubChem (NCBI)

Synonyms: 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate, 4?-Carboxy-cholest-7-en-3?-ol, 3beta-Hydroxy 5alpha-cholest-7-ene-4alpha-carboxylic acid
Isomers (same molecular formula)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7-hydroxy-7-methyloctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H46O3
[(5S,8R,9R,10S,13S,14S)-13-methyl-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate C28H46O3
5-[(Z)-octadec-9-enoxy]-2-phenyl-1,3-dioxane C28H46O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methyloctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H46O3
2-[(3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]acetic acid C28H46O3
(1R,3aR,4R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4-[(1R,2Z)-1-hydroxy-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol C28H46O3
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5S)-5,6-dimethylheptan-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol C28H46O3
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol C28H46O3