Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-

CAS Registry Number®

25092-24-4

CAS Name

Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-

Molecular Formula

C26H36O7

Molecular Mass

460.56

Cite this Page

Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25092-24-4 (retrieved 2024-09-29) (CAS RN: 25092-24-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    249-252 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H36O7/c1-14(27)31-13-20(30)26-21(32-23(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-24(15,4)22(17)19(29)12-25(18,26)5/h10,17-19,21-22,29H,6-9,11-13H2,1-5H3/t17-,18-,19-,21+,22+,24-,25-,26+/m0/s1

InChIKey

InChIKey=JJCMNPASNQSMEE-SBOGIFMKSA-N

SMILES

C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)CC5)[H])[H])[H]

Canonical SMILES

O=C(OCC(=O)C12OC(OC2CC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC31C)(C)C)C

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
  • Pregn-4-ene-3,20-dione, 11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-acetate
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregn-4-ene-3,20-dione deriv.

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