17-[(1-Oxoheptyl)oxy]pregn-4-ene-3,20-dione

CAS Registry Number®

4596-16-1

CAS Name

17-[(1-Oxoheptyl)oxy]pregn-4-ene-3,20-dione

Molecular Formula

C28H42O4

Molecular Mass

442.63

Cite this Page

17-[(1-Oxoheptyl)oxy]pregn-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=4596-16-1 (retrieved 2024-11-21) (CAS RN: 4596-16-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113-114 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H42O4/c1-5-6-7-8-9-25(31)32-28(19(2)29)17-14-24-22-11-10-20-18-21(30)12-15-26(20,3)23(22)13-16-27(24,28)4/h18,22-24H,5-17H2,1-4H3/t22-,23+,24+,26+,27+,28+/m1/s1

InChIKey

InChIKey=NKJYZYWCGKSMSV-BDPSOKNUSA-N

SMILES

O(C(CCCCCC)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])[H]

Canonical SMILES

O=C(OC1(C(=O)C)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)CCCCCC

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 17-[(1-oxoheptyl)oxy]-
  • Pregn-4-ene-3,20-dione, 17-hydroxy-, heptanoate
  • Progesterone, 17-hydroxy-, heptanoate
  • Heptanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione
  • 17-[(1-Oxoheptyl)oxy]pregn-4-ene-3,20-dione

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Deleted or Replaced CAS Registry Numbers

1079269-78-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration