(11β)-21-(Acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

CAS Registry Number®

72064-79-0

CAS Name

(11β)-21-(Acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

Molecular Formula

C28H38O7

Molecular Mass

486.60

Cite this Page

(11β)-21-(Acetyloxy)-11-hydroxy-17-[(1-oxopentyl)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=72064-79-0 (retrieved 2024-11-29) (CAS RN: 72064-79-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1

InChIKey

InChIKey=DGYSDXLCLKPUBR-SLPNHVECSA-N

SMILES

C(COC(C)=O)(=O)[C@]1(OC(CCCC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-acetate 17-valerate
  • (11β)-21-(Acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
  • Acepreval
  • Prednisolone 17-valerate 21-acetate

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