(11β,16β)-9-Bromo-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione

CAS Registry Number®

52092-14-5
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CAS Name

(11β,16β)-9-Bromo-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione

Molecular Formula

C28H37BrO7

Molecular Mass

565.49

Cite this Page

(11β,16β)-9-Bromo-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52092-14-5 (retrieved 2024-05-01) (CAS RN: 52092-14-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-182 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H37BrO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

InChIKey

InChIKey=YXTPQNBZOYQVJP-XYWKZLDCSA-N

SMILES

C(COC(CC)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@](Br)([C@@H](O)C2)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)CC(O)C32Br)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-bromo-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β,16β)-
  • (11β,16β)-9-Bromo-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione

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