Cas no 66289-21-2 ((2r)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal)

(2r)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal structure
66289-21-2 structure
Product Name:(2r)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal
CAS No:66289-21-2
MF:C22H32O2
MW:328.488286972046
CID:1712381
PubChem ID:91156
Update Time:2025-05-07

(2r)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal Chemical and Physical Properties

Names and Identifiers

    • (2R)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal
    • (20R)-3-oxopregn-4-ene-20-carboxaldehyde
    • (20R)-3-oxopregn-4-ene-20-carbaldehyde
    • (20R)-20-Methylpregna-4-ene-3,21-dione
    • 3-oxo-23,24-dinor-chol-4-en-21-al
    • Dinorcholenaldehyde
    • Nsc9137
    • MFCD00178322
    • 2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propanal
    • 903-30-0
    • 66289-21-2
    • 2-(10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanal
    • NSC-9137
    • DB-015775
    • XVPJEGGIGJLDQK-UHFFFAOYSA-N
    • 20-Formylpregn-4-en-3-one
    • (2r)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal
    • Inchi： 1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3
    • InChI Key： XVPJEGGIGJLDQK-UHFFFAOYSA-N
    • SMILES： C(=O)1C=C2[C@](C)(CC1)[C@@]([H])1[C@]([H])([C@]([H])3[C@@](CC1)(C)[C@@]([C@](C=O)C)CC3)CC2

Computed Properties

  • Exact Mass: 328.24036
  • Monoisotopic Mass: 328.240230259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 591
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
  • LogP: 4.96950

(2r)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal Related Literature

66289-21-2 ((2r)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal) Related Products

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