(16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione

CAS Registry Number®

1106-03-2
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CAS Name

(16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione

Molecular Formula

C24H30O6

Molecular Mass

414.49

Cite this Page

(16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1106-03-2 (retrieved 2024-05-03) (CAS RN: 1106-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-233 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-22(15,3)21(17)19(27)11-23(18,4)24(13,29)20(28)12-30-14(2)25/h7-8,10,13,17-18,21,29H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,21+,22-,23-,24-/m0/s1

InChIKey

InChIKey=RZAMUHXEOMZXET-ABQXZQTJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](C(=O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(C[C@H](C)[C@@]2(C(COC(C)=O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CC(C)C4(O)C(=O)COC(=O)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-16-methyl-, (16β)-
  • Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16β-methyl-, 21-acetate
  • (16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione

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