Cortolone

CAS Registry Number®

516-42-7

CAS Name

Cortolone

Molecular Formula

C21H34O5

Molecular Mass

366.49

Cite this Page

Cortolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=516-42-7 (retrieved 2024-11-29) (CAS RN: 516-42-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    264 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1

InChIKey

InChIKey=JXCOSKURGJMQSG-AZQJGLEESA-N

SMILES

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

Canonical SMILES

O=C1CC2(C)C(CCC2(O)C(O)CO)C3CCC4CC(O)CCC4(C)C13

Other Names for this Substance

  • Pregnan-11-one, 3,17,20,21-tetrahydroxy-, (3α,5β,20S)-
  • 5β-Pregnan-11-one, 3α,17,20α,21-tetrahydroxy-
  • (3α,5β,20S)-3,17,20,21-Tetrahydroxypregnan-11-one
  • Cortolone
  • 5β-Pregnane-3α,17,20α,21-tetrol-11-one

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Deleted or Replaced CAS Registry Numbers

16170-72-2

CAS INSIGHTSTM
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