Cas no 618903-56-3 ((8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one)

(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one structure
618903-56-3 structure
Product Name:(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CAS No:618903-56-3
MF:C21H28O2
MW:312.445826530457
CID:955696
PubChem ID:6857686
Update Time:2025-04-19

(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Chemical and Physical Properties

Names and Identifiers

    • (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    • TETRAHYDROGESTRINONE
    • 17H
    • 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
    • BIDD:ER0580
    • Clear
    • Tetrahydrogestrinone (THG)
    • DB06870
    • CHEMBL1229684
    • (17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-3-one
    • OXHNQTSIKGHVBH-ANULTFPQSA-N
    • SCHEMBL4434724
    • 643MR6L9LB
    • CHEBI:190313
    • TETRAHYDROGESTRINONE [MI]
    • Tetrahydrogestrinone 90%
    • (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
    • BDBM50594907
    • 618903-56-3
    • NS00067977
    • Tetrahydrogestrinone (>90%)
    • UNII-643MR6L9LB
    • 13.BETA.,17.ALPHA.-DIETHYL-17.BETA.-HYDROXYGON-4,9,11-TRIEN-3-ONE
    • 18,19-DINORPREGNA-4,9,11-TRIEN-3-ONE, 13-ETHYL-17-HYDROXY-, (17.ALPHA.)-
    • AKOS030242734
    • DTXSID60210901
    • Q416940
    • (10S,11S,14S,15S)-14,15-diethyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6,16-trien-5-one
    • (17.ALPHA.)-13-ETHYL-17-HYDROXY-18,19-DINORPREGNA-4,9,11-TRIEN-3-ONE
    • Tetrahydrogestrinone 90% (1.0mg/ml in Acetonitrile)
    • Inchi： 1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
    • InChI Key： OXHNQTSIKGHVBH-ANULTFPQSA-N
    • SMILES： O[C@@]1(CC)CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3C=C[C@@]21CC)=O

Computed Properties

  • Exact Mass: 312.20900
  • Monoisotopic Mass: 312.208930132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 638
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Melting Point: 60-62°C
  • PSA: 37.30000
  • LogP: 4.49960

(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Production Method

(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Related Literature

Related Categories

618903-56-3 ((8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one) Related Products

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