11-Deoxycortisol

CAS Registry Number®

152-58-9
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CAS Name

11-Deoxycortisol

Molecular Formula

C21H30O4

Molecular Mass

346.46

Cite this Page

11-Deoxycortisol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152-58-9 (retrieved 2024-04-28) (CAS RN: 152-58-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1

InChIKey

InChIKey=WHBHBVVOGNECLV-OBQKJFGGSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C3CCC4(O)C(=O)CO)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 17,21-dihydroxy-
  • 17,21-Dihydroxypregn-4-ene-3,20-dione
  • Cortexolone
  • Cortisol, 11-deoxy-
  • Cortodoxone

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Deleted or Replaced CAS Registry Numbers

37-60-5, 188561-67-3, 478614-16-3

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