(20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione

CAS Registry Number®

600-93-1
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CAS Name

(20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione

Molecular Formula

C21H28O5

Molecular Mass

360.44

Cite this Page

(20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=600-93-1 (retrieved 2024-09-09) (CAS RN: 600-93-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O5/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/h5,7,9,14-15,17-18,22,25-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=UMAIDVARGWSZLM-VDUMFTQRSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(C(=O)C1)[H])[H])(CC[C@@]2([C@H](CO)O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(O)CO)C

Other Names for this Substance

  • Pregna-1,4-diene-3,11-dione, 17,20,21-trihydroxy-, (20S)-
  • Pregna-1,4-diene-3,11-dione, 17,20α,21-trihydroxy-
  • (20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione