(3β)-3-(3-Carboxy-1-oxopropoxy)pregn-5-en-20-one

CAS Registry Number®

4598-67-8
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CAS Name

(3β)-3-(3-Carboxy-1-oxopropoxy)pregn-5-en-20-one

Molecular Formula

C25H36O5

Molecular Mass

416.55

Cite this Page

(3β)-3-(3-Carboxy-1-oxopropoxy)pregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4598-67-8 (retrieved 2024-04-30) (CAS RN: 4598-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h4,17-21H,5-14H2,1-3H3,(H,27,28)/t17-,18-,19+,20-,21-,24-,25+/m0/s1

InChIKey

InChIKey=OZZAYJQNMKMUSD-DMISRAGPSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(=O)OC1CC2=CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregn-5-en-20-one, 3-(3-carboxy-1-oxopropoxy)-, (3β)-
  • Pregn-5-en-20-one, 3β-hydroxy-, hydrogen succinate
  • (3β)-3-(3-Carboxy-1-oxopropoxy)pregn-5-en-20-one
  • 3-Hydroxy-pregn-5-en-20-one hydrogen succinate
  • Panazlone

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