21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregna-1,4-diene-3,11,20-trione

CAS Registry Number®

24808-87-5

CAS Name

21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregna-1,4-diene-3,11,20-trione

Molecular Formula

C25H30O8

Molecular Mass

458.50

Cite this Page

21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregna-1,4-diene-3,11,20-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24808-87-5 (retrieved 2024-12-19) (CAS RN: 24808-87-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H30O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-17,22,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,22+,23-,24-,25-/m0/s1

InChIKey

InChIKey=IMWBZDUOZWSUQI-WFLBVZAHSA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COC(=O)CCC(=O)O)C

Other Names for this Substance

  • Pregna-1,4-diene-3,11,20-trione, 21-(3-carboxy-1-oxopropoxy)-17-hydroxy-
  • Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-(hydrogen succinate)
  • Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-succinate
  • Succinic acid, 21-monoester with 17,21-dihydroxypregna-1,4-diene-3,11,20-trione
  • 21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregna-1,4-diene-3,11,20-trione

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