(16α)-16,21-Dihydroxypregn-4-ene-3,20-dione

CAS Registry Number®

601-39-8

CAS Name

(16α)-16,21-Dihydroxypregn-4-ene-3,20-dione

Molecular Formula

C21H30O4

Molecular Mass

346.46

Cite this Page

(16α)-16,21-Dihydroxypregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=601-39-8 (retrieved 2024-11-25) (CAS RN: 601-39-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    203-205 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O4/c1-20-7-5-13(23)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-17(24)19(21)18(25)11-22/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16+,17-,19-,20+,21+/m1/s1

InChIKey

InChIKey=XSQXOTFDJSEPRD-ROVFHEEESA-N

SMILES

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

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(C(=O)CO)C(O)CC34)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 16,21-dihydroxy-, (16α)-
  • Pregn-4-ene-3,20-dione, 16α,21-dihydroxy-
  • (16α)-16,21-Dihydroxypregn-4-ene-3,20-dione
  • 4-Pregnene-16α,21-diol-3,20-dione
  • NSC 39824

CAS INSIGHTSTM
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