Tibolone Impurity 1

cas: 88247-84-1 — see every product listed under this CAS number, including other names

Tibolone Impurity 1 (CAS 88247-84-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberULT167004
cas88247-84-1
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Structural formula: {0} (CAS {1})

(7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one (CAS 88247-84-1) is a chemical compound with the molecular formula C21H32O3 and a molecular weight of 332.5 g/mol. IUPAC name: (7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one. InChIKey: RKALVZFWSBYRNC-HIHRSEIJSA-N.

Identity
Molecular formulaC21H32O3
Molecular weight332.5 g/mol
IUPAC name(7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChIKeyRKALVZFWSBYRNC-HIHRSEIJSA-N
SMILESC[C@@H]1CC2=C(CCC(C2)(OC)OC)[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C

Computed by PubChem (NCBI)

Synonyms: 7a-Methyl-3,3-Dimethoxy-5(10)-Estrene-17-One, Tibolone Impurity 10, 7alpha-Methyl-3,3-dimethoxy-5(10)-estrene-17-one, 7|A-methyl-3,3-dimethoxy-5(10)-estrene-17-one, Tibolone Impurity 14, RKALVZFWSBYRNC-HIHRSEIJSA-N, 3,3-Dimethoxy-7alpha-methylestr-5(10)-en-17-one, (7alpha)-3,3-dimethoxy-7-methylestr-5(10)-en-17-one, 7|A inverted exclamation mark-Methyl-3,3-dimethoxy-5(10)-estrene-17-one
Isomers (same molecular formula)
methyl (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate C21H32O3
(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate C21H32O3
(4-pentoxyphenyl) 4-propylcyclohexane-1-carboxylate C21H32O3
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate C21H32O3
methyl 4-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]butanoate C21H32O3
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O3
(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalene-2,5-diol C21H32O3
(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O3
[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C21H32O3
1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C21H32O3
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O3
(5S,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C21H32O3

Also listed as

(7R,8R,9S,13S,14S)–3,3–dimethoxy–7,13–dimethyl–1,2,3,4,6,7,8,9,11,12,13,14,15,16–tetradecahydro–17H–cyclopenta(a)phenanthren–17–one GLPBio CAS 88247-84-1
7alpha-Methyl-3,3-dimethoxy-5(10)-estrene-17-one Biosynth CAS 88247-84-1