18-Oxocortisol

CAS Registry Number®

2410-60-8
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CAS Name

18-Oxocortisol

Molecular Formula

C21H28O6

Molecular Mass

376.44

Cite this Page

18-Oxocortisol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2410-60-8 (retrieved 2024-05-20) (CAS RN: 2410-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208.5-209.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1

InChIKey

InChIKey=XUQWWIFROYJHCU-UKSDXMLSSA-N

SMILES

C(=O)[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]

Canonical SMILES

O=CC12CC(O)C3C(CCC4=CC(=O)CCC43C)C2CCC1(O)C(=O)CO

Other Names for this Substance

  • Pregn-4-en-18-al, 11,17,21-trihydroxy-3,20-dioxo-, (11β)-
  • Pregn-4-en-18-al, 11β,17,21-trihydroxy-3,20-dioxo-
  • (11β)-11,17,21-Trihydroxy-3,20-dioxopregn-4-en-18-al
  • 18-Oxocortisol

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