Cas no 6678-00-8 (Hydrocortisone 21-Valerate)

Hydrocortisone 21-Valerate structure
Hydrocortisone 21-Valerate structure
Product Name:Hydrocortisone 21-Valerate
CAS No:6678-00-8
MF:C26H38O6
MW:446.576328754425
CID:527230
PubChem ID:111229
Update Time:2025-04-19

Hydrocortisone 21-Valerate Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(1-oxopentyl)oxy]-, (11b)-
    • Hydrocortisone 21-Valerate
    • [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
    • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-valerate
    • (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl pentanoate
    • EINECS 229-716-3
    • 6678-00-8
    • DTXSID20985345
    • NS00047121
    • SCHEMBL80604
    • 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl pentanoate
    • Cortisol 21-Valerate; 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-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)-2-oxoethyl Pentanoate
    • Inchi： 1S/C26H38O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h13,18-20,23,28,31H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
    • InChI Key： XHDMDWMKAYYIRK-FZNHGJLXSA-N
    • SMILES： O[C@]1(C(COC(CCCC)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 446.26683893g/mol
  • Monoisotopic Mass: 446.26683893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 832
  • 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: 3.6
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.0663 (rough estimate)
  • Boiling Point: 515.91°C (rough estimate)
  • Refractive Index: 1.6000 (estimate)

Hydrocortisone 21-Valerate Pricemore >>

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