3-O-Propyl Estrone

cas: 1852-86-4 — see every product listed under this CAS number, including other names

3-O-Propyl Estrone (CAS 1852-86-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULE1122
cas1852-86-4
sizeon request
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Structural formula: {0} (CAS {1})

(8R,9S,13S,14S)-13-methyl-3-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CAS 1852-86-4) is a chemical compound with the molecular formula C21H28O2 and a molecular weight of 312.4 g/mol. IUPAC name: (8R,9S,13S,14S)-13-methyl-3-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. InChIKey: JEQDUPLREMIUDB-BNDYYXHWSA-N.

Identity
Molecular formulaC21H28O2
Molecular weight312.4 g/mol
IUPAC name(8R,9S,13S,14S)-13-methyl-3-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChIKeyJEQDUPLREMIUDB-BNDYYXHWSA-N
SMILESCCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C

Computed by PubChem (NCBI)

Synonyms: JEQDUPLREMIUDB-BNDYYXHWSA-N, 3-n-propoxy-13beta-methylgona-1,3,5(10)-trien-17-one
Isomers (same molecular formula)
(8S,9R,10S,13R,14R,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione C21H28O2
2,6-ditert-butyl-4-phenylmethoxyphenol C21H28O2
(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione C21H28O2
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8S,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,10R,13R,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2

Also listed as

Estrone Impurity 20 Hubei YoungXin CAS 1852-86-4