(9β,11β)-21-(Acetyloxy)-9,11-epoxypregna-1,4,16-triene-3,20-dione

CAS Registry Number®

103466-44-0

CAS Name

(9β,11β)-21-(Acetyloxy)-9,11-epoxypregna-1,4,16-triene-3,20-dione

Molecular Formula

C23H26O5

Molecular Mass

382.45

Cite this Page

(9β,11β)-21-(Acetyloxy)-9,11-epoxypregna-1,4,16-triene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103466-44-0 (retrieved 2024-10-07) (CAS RN: 103466-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163.5-165.0 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C23H26O5/c1-13(24)27-12-19(26)18-7-6-16-17-5-4-14-10-15(25)8-9-22(14,3)23(17)20(28-23)11-21(16,18)2/h7-10,16-17,20H,4-6,11-12H2,1-3H3/t16-,17-,20-,21-,22-,23+/m0/s1

InChIKey

InChIKey=NYZZIRWUQLDQOR-GMNINMNUSA-N

SMILES

C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(CCC1=CC(=O)C=C2)[H])(CC=C5C(COC(C)=O)=O)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC=C(C(=O)COC(=O)C)C4(C)CC5OC532)C

Other Names for this Substance

  • Pregna-1,4,16-triene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-, (9β,11β)-
  • (9β,11β)-21-(Acetyloxy)-9,11-epoxypregna-1,4,16-triene-3,20-dione

CAS INSIGHTSTM
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