Cas no 209253-81-6 (7b-Eplerenone)

7b-Eplerenone structure
7b-Eplerenone structure
Product Name:7b-Eplerenone
CAS No:209253-81-6
MF:C24H30O6
MW:414.491407871246
CID:1058884
PubChem ID:156621387
Update Time:2025-04-20

7b-Eplerenone Chemical and Physical Properties

Names and Identifiers

    • 7β-Eplerenone
    • A,11
    • A,17
    • A-Eplerenone
    • A-Lactone Methyl Ester
    • Eplerenone EP Impurity E
    • 209253-81-6
    • Methyl (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
    • methyl (2S,9S,10R,11S,14R,15S)-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
    • methyl (4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-4a,6a-dimethyl-2,5'-dioxo-2,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylate
    • BCP07126
    • EN300-717933
    • BRD-A39969961-001-01-3
    • LSM-1524
    • Q27163505
    • CHEBI:91683
    • Methyl 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
    • G91243
    • (7beta,11alpha,17alpha)-9,11-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic acid gamma-lactone methyl ester
    • Methyl 4a,6a-dimethyl-2,5'-dioxo-2,4,4a,5a,6,6a,8,9,9a,9b,10,11-dodecahydro-3H-spiro[cyclopenta[7,8]phenanthro[4b,5-b]oxirene-7,2'-oxolane]-10-carboxylate
    • STL451057
    • HMS3269A11
    • DTXSID20861190
    • methyl 4a,6a-dimethyl-2,5'-dioxo-2,4,4',4a,5',5a,6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[7,8]phenanthro[4b,5-b]oxirene-7,2'-furan]-10-carboxylate
    • AS-14088
    • J-002006
    • AKOS037482519
    • 107724-20-9
    • methyl 2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate
    • 7b-Eplerenone
    • Inchi: 1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16-,17?,19-,21-,22-,23+,24?/m0/s1
    • InChI Key: JUKPWJGBANNWMW-UUSFQDKTSA-N
    • SMILES: O1C2C[C@]3(C)[C@]4(CCC(=O)O4)CC[C@H]3[C@@H]3[C@@H](C(=O)OC)CC4=CC(CC[C@]4(C)C132)=O

Computed Properties

  • Exact Mass: 414.20400
  • Monoisotopic Mass: 414.20423867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 2
  • Complexity: 907
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 82.2?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 256-258°C
  • Boiling Point: 597.9±50.0 °C at 760 mmHg
  • Solubility: Chloroform (Slightly), Methanol (Slightly)
  • PSA: 82.20000
  • LogP: 3.12450
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

7b-Eplerenone Security Information

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