6-Chloro-17-[(1-oxohexyl)oxy]pregna-4,6-diene-3,20-dione

CAS Registry Number®

35753-51-6

CAS Name

6-Chloro-17-[(1-oxohexyl)oxy]pregna-4,6-diene-3,20-dione

Molecular Formula

C27H37ClO4

Molecular Mass

461.03

Cite this Page

6-Chloro-17-[(1-oxohexyl)oxy]pregna-4,6-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35753-51-6 (retrieved 2024-11-22) (CAS RN: 35753-51-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H37ClO4/c1-5-6-7-8-24(31)32-27(17(2)29)14-11-21-19-16-23(28)22-15-18(30)9-12-25(22,3)20(19)10-13-26(21,27)4/h15-16,19-21H,5-14H2,1-4H3/t19-,20+,21+,25-,26+,27+/m1/s1

InChIKey

InChIKey=VNEYSFJFVXCAHG-BRWSOWNCSA-N

SMILES

O(C(CCCCC)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(C(Cl)=C3)=CC(=O)CC4)[H])[H])[H]

Canonical SMILES

O=C(OC1(C(=O)C)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C)CCCCC

Other Names for this Substance

  • Pregna-4,6-diene-3,20-dione, 6-chloro-17-[(1-oxohexyl)oxy]-
  • Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-, hexanoate
  • 6-Chloro-17-[(1-oxohexyl)oxy]pregna-4,6-diene-3,20-dione