Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-16-methyl-, (9β,11β,16α)-

CAS Registry Number®

52092-65-6
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CAS Name

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-16-methyl-, (9β,11β,16α)-

Molecular Formula

C24H30O5

Molecular Mass

398.49

Cite this Page

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-16-methyl-, (9β,11β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52092-65-6 (retrieved 2024-06-24) (CAS RN: 52092-65-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H30O5/c1-13-9-18-17-6-5-15-10-16(26)7-8-23(15,4)24(17)20(29-24)11-22(18,3)21(13)19(27)12-28-14(2)25/h7-8,10,13,17-18,20-21H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20+,21-,22+,23+,24-/m1/s1

InChIKey

InChIKey=JKRMOSPJNPCGSZ-QNAHPZDQSA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(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-16-methyl-, (9β,11β,16α)-
  • 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-21-hydroxy-16α-methyl-, acetate
  • 9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregna-1,4-diene-3,20-dione deriv.

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