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Substance Name: Pregn-4-ene-19-carboxaldehyde, 9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-3,20-dioxo-21-((1-oxohexyl)oxy)-, (10alpha,11beta,16alpha)-
RN: 7704-11-2
InChIKey: WWSYNGMIXXTOLY-VNMNGIOUSA-N

Molecular Formula

  • C31-H43-F-O8

Molecular Weight

  • 562.6707
 
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Names and Synonyms

Synonyms

  • 10alpha-Pregn-4-ene-19-carboxaldehyde, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-3,20-dioxo-, cyclic 16,17-acetal with acetone, 21-hexanoate
  • 9-Fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-3,20-dioxo-21-((1-oxohexyl)oxy)pregn-4-ene-19-carboxaldehyde (10alpha,11beta,16alpha)-

Systematic Name

  • Pregn-4-ene-19-carboxaldehyde, 9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-3,20-dioxo-21-((1-oxohexyl)oxy)-, (10alpha,11beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 7704-11-2

System Generated Number

  • 0007704112

Structure Descriptors

InChI

1S/C31H43FO8/c1-5-6-7-8-26(37)38-18-24(36)31-25(39-27(2,3)40-31)16-22-21-10-9-19-15-20(34)11-12-29(19,13-14-33)30(21,32)23(35)17-28(22,31)4/h14-15,21-23,25,35H,5-13,16-18H2,1-4H3/t21-,22-,23-,25+,28-,29-,30-,31+/m0/s1

InChIKey

WWSYNGMIXXTOLY-VNMNGIOUSA-N

Smiles

CCCCCC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@]5(CC=O)[C@@]4(F)[C@@H](O)C[C@]23C