Products 77546-65-7

CAS 77546-65-7 is the registry number for OPTC. Offered by: TRC. Available pack sizes: 1g.

OPTC
TRC
  • size: 1g
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(2E)-2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]propanoic acid (CAS 77546-65-7) is a chemical compound with the molecular formula C22H28O3 and a molecular weight of 340.5 g/mol. IUPAC name: (2E)-2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]propanoic acid. InChIKey: JJVWWLILUCSYPJ-JCEQKDGOSA-N.

Identity
Molecular formulaC22H28O3
Molecular weight340.5 g/mol
IUPAC name(2E)-2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]propanoic acid
InChIKeyJJVWWLILUCSYPJ-JCEQKDGOSA-N
SMILESC/C(=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)/C(=O)O

Computed by PubChem (NCBI)

Synonyms: OPTC
Isomers (same molecular formula)
(4-butoxyphenyl) 4-pentylbenzoate C22H28O3
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6S,8S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-6-methylidene-3-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate C22H28O3
2-[3-(5-tert-butyl-2-methylphenyl)propyl]-6-methoxybenzoic acid C22H28O3
(2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H28O3