3BETA,7ALPHA-DIHYDROXYCHOLEST-5-ENOIC AC

cas: 2342573-95-7 — see every product listed under this CAS number, including other names

3BETA,7ALPHA-DIHYDROXYCHOLEST-5-ENOIC AC (CAS 2342573-95-7) is a chemical reagent available from Chemat. Available pack sizes: 1MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number700224P-1MG
cas2342573-95-7
size1MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Sigma-Aldrich 1MG 3560.00 Pln

properties

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

(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(trideuteriomethyl)heptanoic acid (CAS 2342573-95-7) is a chemical compound with the molecular formula C27H44O4 and a molecular weight of 435.7 g/mol. IUPAC name: (6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(trideuteriomethyl)heptanoic acid. InChIKey: GYJSAWZGYQXRBS-SEXWDPGFSA-N.

Identity
Molecular formulaC27H44O4
Molecular weight435.7 g/mol
IUPAC name(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(trideuteriomethyl)heptanoic acid
InChIKeyGYJSAWZGYQXRBS-SEXWDPGFSA-N
SMILES[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 3beta,7alpha-Dihydroxycholest-5-enoic acid-d3, 3|A,7|A-Dihydroxycholest-5-enoic acid-d3
Related forms of this compound
(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H44O4
(2R,6R)-6-[(3S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H44O4
Isomers (same molecular formula)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O4
(E,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-methylhept-2-enoic acid C27H44O4
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O4
(3aR,6R)-6-(2-carboxyethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7-carboxylic acid C27H44O4
1-O-(8-methylnonyl) 2-O-(7-methyloctyl) benzene-1,2-dicarboxylate C27H44O4
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol C27H44O4
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-diol C27H44O4
octadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C27H44O4
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,15S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol C27H44O4
2-O-decyl 1-O-nonyl benzene-1,2-dicarboxylate C27H44O4

Also listed as

3β,7α-Dihydroxycholest-5-enoic acid-d3, 99.5% MedChemExpress CAS 2342573-95-7