Hydrocortisone 21-valerate

CAS Registry Number®

6678-00-8

CAS Name

Hydrocortisone 21-valerate

Molecular Formula

C26H38O6

Molecular Mass

446.58

Cite this Page

Hydrocortisone 21-valerate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6678-00-8 (retrieved 2024-11-27) (CAS RN: 6678-00-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XHDMDWMKAYYIRK-FZNHGJLXSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@]2(C(COC(CCCC)=O)=O)O)[H]

Canonical SMILES

O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCCC

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[(1-oxopentyl)oxy]-, (11β)-
  • Cortisol, 21-valerate
  • (11β)-11,17-Dihydroxy-21-[(1-oxopentyl)oxy]pregn-4-ene-3,20-dione
  • Hydrocortisone 21-valerate

Deleted or Replaced CAS Registry Numbers

76675-72-4

CAS INSIGHTSTM
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