(11β)-17-(Benzoyloxy)-11,21-dihydroxypregn-4-ene-3,20-dione

CAS Registry Number®

28956-89-0
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CAS Name

(11β)-17-(Benzoyloxy)-11,21-dihydroxypregn-4-ene-3,20-dione

Molecular Formula

C28H34O6

Molecular Mass

466.57

Cite this Page

(11β)-17-(Benzoyloxy)-11,21-dihydroxypregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=28956-89-0 (retrieved 2024-05-03) (CAS RN: 28956-89-0).  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/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1

InChIKey

InChIKey=LPEYMYDYPGRLBU-YGZHYJPASA-N

SMILES

O(C(=O)C1=CC=CC=C1)[C@@]2(C(CO)=O)[C@]3(C)[C@@](CC2)([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)CC5)[H])[H])[H]

Canonical SMILES

O=C(OC1(C(=O)CO)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C=5C=CC=CC5

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 17-(benzoyloxy)-11,21-dihydroxy-, (11β)-
  • Cortisol, 17-benzoate
  • (11β)-17-(Benzoyloxy)-11,21-dihydroxypregn-4-ene-3,20-dione
  • Benzodrocortisone

Deleted or Replaced CAS Registry Numbers

82632-98-2

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