(5β)-17,21-Dihydroxypregnane-3,11,20-trione

CAS Registry Number®

68-54-2
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CAS Name

(5β)-17,21-Dihydroxypregnane-3,11,20-trione

Molecular Formula

C21H30O5

Molecular Mass

362.46

Cite this Page

(5β)-17,21-Dihydroxypregnane-3,11,20-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68-54-2 (retrieved 2024-04-18) (CAS RN: 68-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-217 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O5/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/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1

InChIKey

InChIKey=YCLWEYIBFOLMEM-FNLRALKVSA-N

SMILES

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

Canonical SMILES

O=C1CCC2(C)C3C(=O)CC4(C)C(CCC4(O)C(=O)CO)C3CCC2C1

Other Names for this Substance

  • Pregnane-3,11,20-trione, 17,21-dihydroxy-, (5β)-
  • 5β-Pregnane-3,11,20-trione, 17,21-dihydroxy-
  • (5β)-17,21-Dihydroxypregnane-3,11,20-trione
  • 17α,21-Dihydroxy-5β-pregnane-3,11,20-trione
  • 5β-Pregnan-3,11,20-trione-17α,21-diol

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