Cas no 6678-14-4 (Hydrocortisone 21-Octanoate)

Hydrocortisone 21-Octanoate structure
Hydrocortisone 21-Octanoate structure
Product Name:Hydrocortisone 21-Octanoate
CAS No:6678-14-4
MF:C29H44O6
MW:488.656069755554
CID:506375
PubChem ID:94330
Update Time:2025-04-19

Hydrocortisone 21-Octanoate Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(1-oxooctyl)oxy]-, (11b)-
    • Hydrocortisone 21-Octanoate
    • 4-PREGNENE-11BETA,17ALPHA,21-TRIOL-3,20-DIONE 21-CAPRYLATE
    • HYDROCORTISONE 21-CAPRYLATE
    • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-octanoate
    • 11BETA,17ALPHA,21-TRIHYDROXY-4-PREGNENE-3,20-DIONE 21-CAPRYLATE
    • CORTISOL OCTANOATE
    • Einecs 229-717-9
    • NS00047134
    • CHEBI:182777
    • DTXSID50872916
    • [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] octanoate
    • 4-PREGNENE-11.BETA.,17.ALPHA.,21-TRIOL-3,20-DIONE 21-CAPRYLATE
    • PREGN-4-ENE-3,20-DIONE, 11,17-DIHYDROXY-21-((1-OXOOCTYL)OXY)-, (11.BETA.)-
    • UNII-9XD0S2230I
    • MLS001076292
    • SMR000058694
    • CHEMBL253989
    • HMS2235G05
    • hydrocortisone octanoate
    • (11.BETA.)-11,17-DIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL OCTANOATE
    • Q27273346
    • 9XD0S2230I
    • MLS000028676
    • hydrocortisone caprylate
    • SCHEMBL141851
    • CORTISOL, 21-OCTANOATE
    • 'MLS001076292-01!11BETA,17ALPHA,21-TRIHYDROXY-4-PREGNENE-3,20-DIONE 21-CAPRYLATE'
    • OCTANOIC ACID, (11.BETA.)-11,17-DIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL ESTER
    • HYDROCORTISONE CAPRYLATE [WHO-DD]
    • Opera_ID_1327
    • Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(1-oxooctyl)oxy]-,(11b)-
    • 11.BETA.,17.ALPHA.-DIHYDROXY-21-(OCTANOYLOXY)PREGNA-4-ENE-3,20-DIONE
    • 11.BETA.,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE 21-OCTANOATE
    • J298.056H
    • 6678-14-4
    • (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) OCTANOATE
    • Inchi: 1S/C29H44O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h16,21-23,26,31,34H,4-15,17-18H2,1-3H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1
    • InChI Key: VWVPRYMOFYIOOZ-KAQKJVHQSA-N
    • SMILES: O[C@]1(C(COC(CCCCCCC)=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: 488.31400
  • Monoisotopic Mass: 488.31378912g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 10
  • Complexity: 878
  • 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: 5.2
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 100.90000
  • LogP: 4.69300

Hydrocortisone 21-Octanoate Security Information

  • WGK Germany:3

Hydrocortisone 21-Octanoate Pricemore >>

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