(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione

CAS Registry Number®

77017-20-0
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CAS Name

(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione

Molecular Formula

C23H28O6

Molecular Mass

400.46

Cite this Page

(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=77017-20-0 (retrieved 2024-04-28) (CAS RN: 77017-20-0).  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)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h6-8,10,16,18-19,26,28H,4-5,9,11-12H2,1-3H3/t16-,18+,19-,21+,22+,23+/m1/s1

InChIKey

InChIKey=LUROGHOZLOFASD-ZPDKUKPCSA-N

SMILES

C[C@@]12[C@]([C@]3(C(=CC1)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])(C[C@@H](O)[C@@]2(C(COC(C)=O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2=CCC4(C)C3CC(O)C4(O)C(=O)COC(=O)C)C

Other Names for this Substance

  • Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-16,17-dihydroxy-, (16α)-
  • Pregna-1,4,9(11)-triene-3,20-dione, 16α,17,21-trihydroxy-, 21-acetate
  • (16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione
  • (16a)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione

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