(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione

CAS Registry Number®

3593-96-2

CAS Name

(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione

Molecular Formula

C27H40O6

Molecular Mass

460.60

Cite this Page

(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3593-96-2 (retrieved 2024-11-22) (CAS RN: 3593-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124-125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1

InChIKey

InChIKey=XZSVYVIYKBHVMV-FOMYWIRZSA-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(CCCCC)=O)=O)O)[H]

Canonical SMILES

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

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[(1-oxohexyl)oxy]-, (11β)-
  • Cortisol, 21-hexanoate
  • Hexanoic acid, 21-ester with cortisol
  • (11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione
  • Hydrocortisone 21-caproate

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