(9β,11β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

38680-83-0

CAS Name

(9β,11β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C23H28O6

Molecular Mass

400.46

Cite this Page

(9β,11β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-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=38680-83-0 (retrieved 2024-11-22) (CAS RN: 38680-83-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28O6/c1-13(24)28-12-18(26)22(27)9-7-16-17-5-4-14-10-15(25)6-8-20(14,2)23(17)19(29-23)11-21(16,22)3/h6,8,10,16-17,19,27H,4-5,7,9,11-12H2,1-3H3/t16-,17-,19-,20-,21-,22-,23+/m0/s1

InChIKey

InChIKey=DBNHODAAFAHQNY-WWUWEVONSA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC5OC532)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9β,11β)-
  • 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy-, 21-acetate
  • (9β,11β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione

CAS INSIGHTSTM
Targeted protein degrader structure, illustration