Cholic Acid Impurity 41

cas: 571-49-3 — see every product listed under this CAS number, including other names

Cholic Acid Impurity 41 (CAS 571-49-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC57131
cas571-49-3
sizeon request
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Structural formula: {0} (CAS {1})

(3R,5R,8S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one (CAS 571-49-3) is a chemical compound with the molecular formula C19H28O2 and a molecular weight of 288.4 g/mol. IUPAC name: (3R,5R,8S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one. InChIKey: VFORKMIYKGJSEC-MBOQCRCKSA-N.

Identity
Molecular formulaC19H28O2
Molecular weight288.4 g/mol
IUPAC name(3R,5R,8S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChIKeyVFORKMIYKGJSEC-MBOQCRCKSA-N
SMILESC[C@]12CC[C@H](C[C@H]1CC[C@@H]3C2=CC[C@]4([C@H]3CCC4=O)C)O

Computed by PubChem (NCBI)

Synonyms: VFORKMIYKGJSEC-MBOQCRCKSA-N, 3alpha-Hydroxy-5beta-androst-9(11)-en-17-one
Related forms of this compound
(3S,5S,8S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C19H28O2
(3R,5S,8S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C19H28O2
(3S,5R,8S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C19H28O2
Isomers (same molecular formula)
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione C19H28O2
(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoic acid C19H28O2
(3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C19H28O2
(8R,9S,10R,13S,14S,17S)-13-ethyl-17-hydroxy-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C19H28O2
(3bR,5aS,9aS,9bS)-1,1,9a-trimethyl-3,3b,4,5,5a,6,9,9b,10,11-decahydro-2H-indeno[4,5-h]isochromen-7-one C19H28O2
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione C19H28O2
(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C19H28O2
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C19H28O2
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C19H28O2