Cas no 20976-92-5 (Pregn-5-ene-3,20-diol,20-methyl-, (3b)-(9CI))

Pregn-5-ene-3,20-diol,20-methyl-, (3b)-(9CI) structure
20976-92-5 structure
Product Name:Pregn-5-ene-3,20-diol,20-methyl-, (3b)-(9CI)
CAS No:20976-92-5
MF:C22H36O2
MW:332.520047187805
CID:270627
PubChem ID:3082174
Update Time:2025-04-19

Pregn-5-ene-3,20-diol,20-methyl-, (3b)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-5-ene-3,20-diol,20-methyl-, (3b)-(9CI)
    • 20-methylpregn-5-ene-3,20-diol
    • 22,23-dihydrocucurbitacin F
    • 23,24-dihydrocucurbitacin F
    • 25-deacetyl hemslecin A
    • dihydrocucurbitacin F
    • (3S,8S,9S,10R,13S,14S,17S)-17-(2-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 20-Methylpregn-5-ene-3beta,20-diol
    • 20-methylpregn-5-ene-3 beta,20-diol
    • 23,24-Dinor-5-cholene-3-beta,20-diol
    • (3S,8S,9S,10R,13S,14S,17S)-17-(2-Hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 20976-92-5
    • DTXSID80943269
    • Pregn-5-ene-3,20-diol, 20-methyl-, (3beta)-
    • Inchi： 1S/C22H36O2/c1-20(2,24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,3)18(16)10-12-22(17,19)4/h5,15-19,23-24H,6-13H2,1-4H3/t15-,16-,17-,18-,19+,21-,22-/m0/s1
    • InChI Key： HYQOIXCNKARMRI-SPHVDITISA-N
    • SMILES： OC(C)(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O

Computed Properties

  • Exact Mass: 332.27200
  • Monoisotopic Mass: 332.27153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 550
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Density: 1.08
  • Boiling Point: 454.8°Cat760mmHg
  • Flash Point: 199.1°C
  • Refractive Index: 1.553
  • PSA: 40.46000
  • LogP: 4.69720

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