(3beta,5alpha)-3-Acetate-4,4-dimethylcholest-8-en-3-ol

cas: 5241-26-9 — see every product listed under this CAS number, including other names

(3beta,5alpha)-3-Acetate-4,4-dimethylcholest-8-en-3-ol (CAS 5241-26-9) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-A465815-100MG
cas5241-26-9
size100mg
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Structural formula: {0} (CAS {1})

[(3S,5R,10S,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate (CAS 5241-26-9) is a chemical compound with the molecular formula C31H52O2 and a molecular weight of 456.7 g/mol. IUPAC name: [(3S,5R,10S,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate. InChIKey: MBGOECKXWIIFIB-HURIIRRRSA-N.

Identity
Molecular formulaC31H52O2
Molecular weight456.7 g/mol
IUPAC name[(3S,5R,10S,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
InChIKeyMBGOECKXWIIFIB-HURIIRRRSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C

Computed by PubChem (NCBI)

Synonyms: (3?,?5?)-3-Acetate-4,?4-?dimethylcholest-?8-?en-?3-?ol
Isomers (same molecular formula)
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate C31H52O2
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol C31H52O2
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2S,3R,5S)-3-hydroxy-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol C31H52O2
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C31H52O2
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoate C31H52O2
(3S,4aR,6aR,6bS,8aR,12aR,14R,14aR,14bS)-14-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol C31H52O2