11α,12α-Epoxy-7α-(methoxycarbonyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone

cas: 192704-82-8 — see every product listed under this CAS number, including other names

11α,12α-Epoxy-7α-(methoxycarbonyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone (CAS 192704-82-8) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: Mikromol.

brandMikromol
catalog numberMM3530.02-0025
cas192704-82-8
size25mg
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Structural formula: {0} (CAS {1})

Methyl (1S,2S,4R,5R,6R,9S,10S,11R,18R)-5,18-dimethyl-5',15-dioxospiro[3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadec-13-ene-6,2'-oxolane]-11-carboxylate (CAS 192704-82-8) is a chemical compound with the molecular formula C24H30O6 and a molecular weight of 414.5 g/mol. IUPAC name: methyl (1S,2S,4R,5R,6R,9S,10S,11R,18R)-5,18-dimethyl-5',15-dioxospiro[3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadec-13-ene-6,2'-oxolane]-11-carboxylate. InChIKey: QBIRIYASLUPKQB-KPHSNMAVSA-N.

Identity
Molecular formulaC24H30O6
Molecular weight414.5 g/mol
IUPAC namemethyl (1S,2S,4R,5R,6R,9S,10S,11R,18R)-5,18-dimethyl-5',15-dioxospiro[3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadec-13-ene-6,2'-oxolane]-11-carboxylate
InChIKeyQBIRIYASLUPKQB-KPHSNMAVSA-N
SMILESC[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2[C@H]4[C@H](O4)[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC

Computed by PubChem (NCBI)

Synonyms: Eplerenone EP Impurity B, Eplerenone impurity B [EP], EPLERENONE IMPURITY B [EP IMPURITY]
Isomers (same molecular formula)
methyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate C24H30O6
4-[10-(4-carboxyphenoxy)decoxy]benzoic acid C24H30O6
methyl (1R,2S,9S,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate C24H30O6
[2-[(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate C24H30O6
(1R,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14,17-trien-16-one C24H30O6
[(8R,9S,13S,14S,16R,17R)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate C24H30O6
[2-[(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate C24H30O6
[2-[(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H30O6
(1S,3S,5S,6S,10R,12S,13S,21S)-6-(2-hydroxyacetyl)-5,8,8,21-tetramethyl-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-18-one C24H30O6
2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetaldehyde C24H30O6
(1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-11,16-dione C24H30O6
[2-[(8S,9S,10R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H30O6

Also listed as

Eplerenone EP Impurity B Chemat Brand CAS 192704-82-8
Eplerenone Impurity 4（Eplerenone EP Impurity B） Hubei YoungXin CAS 192704-82-8
(7Alpha,11Alpha,12Alpha,17Alpha)-11,12-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic Acid Lactone, Methyl Ester, >95% (HPLC) TRC CAS 192704-82-8