17,21-Dihydroxypregna-1,4,9(11)-triene-3,20-dione

CAS Registry Number®

10184-69-7
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CAS Name

17,21-Dihydroxypregna-1,4,9(11)-triene-3,20-dione

Molecular Formula

C21H26O4

Molecular Mass

342.43

Cite this Page

17,21-Dihydroxypregna-1,4,9(11)-triene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10184-69-7 (retrieved 2024-08-26) (CAS RN: 10184-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-228 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5-6,8,11,15,17,22,25H,3-4,7,9-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1

InChIKey

InChIKey=MATJXMUQVASJHW-ONKRVSLGSA-N

SMILES

C[C@@]12[C@]([C@]3(C([C@]4(C)C(CC3)=CC(=O)C=C4)=CC1)[H])(CC[C@@]2(C(CO)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2=CCC4(C)C3CCC4(O)C(=O)CO)C

Other Names for this Substance

  • Pregna-1,4,9(11)-triene-3,20-dione, 17,21-dihydroxy-
  • 17,21-Dihydroxypregna-1,4,9(11)-triene-3,20-dione