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

CAS Registry Number®

6678-14-4

CAS Name

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

Molecular Formula

C29H44O6

Molecular Mass

488.66

Cite this Page

(11β)-11,17-Dihydroxy-21-[(1-oxooctyl)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=6678-14-4 (retrieved 2024-11-25) (CAS RN: 6678-14-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104-105 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=VWVPRYMOFYIOOZ-KAQKJVHQSA-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(CCCCCCC)=O)=O)O)[H]

Canonical SMILES

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

Other Names for this Substance

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

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