Cas no 35100-44-8 (Pregna-1,4-diene-3,20-dione,11-hydroxy-6-methyl-, (6a,11b)-)

Pregna-1,4-diene-3,20-dione,11-hydroxy-6-methyl-, (6a,11b)- structure
35100-44-8 structure
Product Name:Pregna-1,4-diene-3,20-dione,11-hydroxy-6-methyl-, (6a,11b)-
CAS No:35100-44-8
MF:C22H30O3
MW:342.471807003021
CID:306506
PubChem ID:71422
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,11-hydroxy-6-methyl-, (6a,11b)- Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,11-hydroxy-6-methyl-, (6a,11b)-
    • (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    • Endrisona
    • Endrisona [INN-Spanish]
    • Endrisona [Spanish]
    • Endrisone
    • Endrisonum
    • Endrisonum [INN-Latin]
    • ENDRYSONE
    • UNII-1QZ096EIEF
    • DTXSID401043364
    • EINECS 252-362-6
    • SCHEMBL43713
    • Pregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-
    • 35100-44-8
    • NS00056266
    • Endrysone (USAN/INN)
    • D03995
    • Q27252771
    • 11beta-Hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
    • Endrysone [USAN]
    • Endrisone [INN]
    • Pregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6alpha,11beta)-
    • CHEMBL2104631
    • ENDRISONE [MART.]
    • 1QZ096EIEF
    • Inchi: 1S/C22H30O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h7-8,10,12,15-17,19-20,25H,5-6,9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1
    • InChI Key: VDNZZIYSCXESNI-ILSZZQPISA-N
    • SMILES: O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2C[C@H](C)C3=CC(C=C[C@]3(C)[C@H]21)=O

Computed Properties

  • Exact Mass: 342.21900
  • Monoisotopic Mass: 342.219
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 1
  • Complexity: 689
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 54.4A^2

Experimental Properties

  • Density: 1.15
  • Boiling Point: 494.7°Cat760mmHg
  • Flash Point: 267.1°C
  • Refractive Index: 1.566
  • PSA: 54.37000
  • LogP: 3.71630
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