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

CAS Registry Number®

69164-69-8
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CAS Name

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

Molecular Formula

C27H38O6

Molecular Mass

458.59

Cite this Page

(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69164-69-8 (retrieved 2024-09-06) (CAS RN: 69164-69-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184.5-185.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H38O6/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/h10,12,14,19-21,24,29,32H,4-9,11,13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1

InChIKey

InChIKey=DNSAKUGJOSFARZ-FOMYWIRZSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COC(CCCCC)=O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CCCCC)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(1-oxohexyl)oxy]-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-hexanoate
  • (11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregna-1,4-diene-3,20-dione
  • Prednisolone caproate