Equilin 3-Benzoate

cas: 6030-80-4 — see every product listed under this CAS number, including other names

Equilin 3-Benzoate (CAS 6030-80-4) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg, 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-E592805-100MG
cas6030-80-4
size100mg
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Structural formula: {0} (CAS {1})

[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate (CAS 6030-80-4) is a chemical compound with the molecular formula C25H24O3 and a molecular weight of 372.5 g/mol. IUPAC name: [(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate. InChIKey: UIXFQXUDHNMOTI-KJWPAHLWSA-N.

Identity
Molecular formulaC25H24O3
Molecular weight372.5 g/mol
IUPAC name[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate
InChIKeyUIXFQXUDHNMOTI-KJWPAHLWSA-N
SMILESC[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)[C@@H]1CCC2=O

Computed by PubChem (NCBI)

Synonyms: Equilin benzoate, Equilin 3-Benzoate, Equilin, benzoate, Equilinbenzoat, 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one, benzoate, 3-09-00-00767 (Beilstein Handbook Reference), 17-Oxoestra-1(10),2,4,7-tetraen-3-yl benzoate
Isomers (same molecular formula)
(E)-1-[3,5-bis(phenylmethoxy)phenyl]pent-1-en-3-one C25H24O3

Also listed as

Equilin Impurity 10 Hubei YoungXin CAS 6030-80-4