Products 566-93-8

CAS 566-93-8 is the registry number for Cholesta-4,6-dien-3-one, >95% (HPLC). Offered by: TRC. Available pack sizes: 2,5mg, 25mg.

Cholesta-4,6-dien-3-one, >95% (HPLC)
TRC
  • size: 2,5mg, 25mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (CAS 566-93-8) is a chemical compound with the molecular formula C27H42O and a molecular weight of 382.6 g/mol. IUPAC name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one. InChIKey: XIWMRKFKSRYSIJ-GYKMGIIDSA-N.

Identity
Molecular formulaC27H42O
Molecular weight382.6 g/mol
IUPAC name(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
InChIKeyXIWMRKFKSRYSIJ-GYKMGIIDSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C

Computed by PubChem (NCBI)

Synonyms: Cholesta-4,6-dien-3-one, 4,6-Cholestadien-3-one, cholesta-4,6-diene-3-one, cholest-4,6-dien-3-one, 4,6-Cholestadiene-3-one, 4,6-cholestadienone
Isomers (same molecular formula)
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C27H42O
(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol C27H42O
(3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C27H42O
(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C27H42O