Cas no 21720-47-8 ([2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate)

[2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate structure
21720-47-8 structure
Product Name:[2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
CAS No:21720-47-8
MF:C23H30O5
MW:386.481307506561
CID:284514
PubChem ID:89530
Update Time:2025-04-19

[2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate Chemical and Physical Properties

Names and Identifiers

    • [2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
    • [2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    • 11beta,21-Dihydroxypregna-4,16-diene-3,20-dione 21-acetate
    • 11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate
    • DTXSID80944337
    • [2-(11-hydroxy-10, 13-dimethyl-3-oxo-1, 2, 6, 7, 8, 9, 11, 12, 14, 15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
    • 21720-47-8
    • Inchi： 1S/C23H30O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7,10,16-17,19,21,26H,4-6,8-9,11-12H2,1-3H3
    • InChI Key： XHSVJQFXSJKUIK-UHFFFAOYSA-N
    • SMILES： OC1CC2(C)C(C(COC(C)=O)=O)=CCC2C2CCC3=CC(CCC3(C)C21)=O

Computed Properties

  • Exact Mass: 386.2094
  • Monoisotopic Mass: 386.20932405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 793
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • PSA: 80.67

[2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate Related Literature

21720-47-8 ([2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate) Related Products

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