Cas no 132830-78-5 ((10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxidanium)

(10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxidanium structure
132830-78-5 structure
Product Name:(10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxidanium
CAS No:132830-78-5
MF:C20H31O2
MW:303.458946466446
CID:899236
Update Time:2025-04-19

(10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxidanium Chemical and Physical Properties

Names and Identifiers

    • (10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxidanium
    • Epimetendiol
    • 17,17-Dimethyl-18-nor-5β-androsta-1,13-diene-3 α-ol
    • (3S,5R,8R,9S,10R,13S,14S,17R)-10,13,17-trimethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
    • Inchi： 1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/p+1
    • InChI Key： GCKMFJBGXUYNAG-UHFFFAOYSA-O
    • SMILES： [O+]([H])([H])C1(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])([H])C([H])([H])C4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])C21C([H])([H])[H])=O

Computed Properties

  • Exact Mass: 303.23253
  • Monoisotopic Mass: 303.232
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 550
  • 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: 3.4

Experimental Properties

  • PSA: 39.97

(10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxidanium Related Literature

132830-78-5 ((10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxidanium) Related Products

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