Prednival

CAS Registry Number®

15180-00-4

CAS Name

Prednival

Molecular Formula

C26H36O6

Molecular Mass

444.56

Cite this Page

Prednival.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15180-00-4 (retrieved 2024-11-22) (CAS RN: 15180-00-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1

InChIKey

InChIKey=BOFKYYWJAOZDPB-FZNHGJLXSA-N

SMILES

O(C(CCCC)=O)[C@@]1(C(CO)=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)CO)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-17-[(1-oxopentyl)oxy]-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 17-valerate
  • (11β)-11,21-Dihydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
  • W 4869
  • Prednisolone 17-valerate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration