Cas no 1491-81-2 (Estr-4-en-3-one,17-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]-, (17b)-)

Estr-4-en-3-one,17-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]-, (17b)- structure
1491-81-2 structure
Product Name:Estr-4-en-3-one,17-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]-, (17b)-
CAS No:1491-81-2
MF:C29H40O3
MW:436.62610912323
CID:142171
PubChem ID:11954312
Update Time:2025-04-19

Estr-4-en-3-one,17-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]-, (17b)- Chemical and Physical Properties

Names and Identifiers

    • Estr-4-en-3-one,17-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]-, (17b)-
    • [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
    • (17beta)-3-oxoestr-4-en-17-yl tricyclo[3.3.1.1~3,7~]decane-1-carboxylat
    • (8xi,10xi,13xi,17beta)-3-oxoestr-4-en-17-yl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
    • 17beta-Hydroxyestr-4-en-3-one 1-adamantanecarboxylate
    • 3-Oxo-4-estren-17beta-yl 1-adamantancarboxylat
    • Bolmantalate
    • Bolmantalate [USAN:INN:BAN]
    • Bolmantalato
    • Bolmantalatum
    • Estr-4-en-3-one, 17-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)-, (17beta)-
    • Lilly 38851
    • LY 38851
    • 38851
    • 17β-[(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]estr-4-en-3-one
    • Bolmantalate (USAN/INN)
    • BOLMANTALATE [INN]
    • UNII-7IKT9C4TYI
    • BOLMANTALATE [USAN]
    • AKOS040750892
    • Q15633981
    • D03147
    • ESTR-4-EN-3-ONE, 17-((TRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YLCARBONYL)OXY)-, (17.BETA.)-
    • 1491-81-2
    • 7IKT9C4TYI
    • SCHEMBL636446
    • CHEMBL2104237
    • (8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl adamantane-1-carboxylate
    • DTXSID60164172
    • CHEBI:177488
    • Inchi： 1S/C29H40O3/c1-28-9-8-23-22-5-3-21(30)13-20(22)2-4-24(23)25(28)6-7-26(28)32-27(31)29-14-17-10-18(15-29)12-19(11-17)16-29/h13,17-19,22-26H,2-12,14-16H2,1H3/t17?,18?,19?,22-,23+,24+,25-,26-,28-,29?/m0/s1
    • InChI Key： NCXAMLZZPQRJGY-PVAKYVEVSA-N
    • SMILES： O(C(C12CC3CC(CC(C3)C1)C2)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 436.29774513g/mol
  • Monoisotopic Mass: 436.29774513g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 3
  • Complexity: 828
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 43.4?2

Estr-4-en-3-one,17-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]-, (17b)- Related Literature

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