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19-(3,5-dimethyl-4-isoxazolyl)-17β-hydroxy-A-norandrost-9-en-5-one, acetate
SpectraBase Compound ID ITeCILuqiDF
InChI InChI=1S/C22H29NO4/c1-12-17(13(2)27-23-12)11-18-15-9-10-22(4)19(16(15)5-7-20(18)25)6-8-21(22)26-14(3)24/h16,19,21H,5-11H2,1-4H3/t16-,19+,21+,22+/m1/s1
InChIKey WXSPSFCHYCVGPX-XEHJXZTKSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 72tDR2Esi7L
Name 19-(3,5-dimethyl-4-isoxazolyl)-17β-hydroxy-A-norandrost-9-en-5-one, acetate
Source of Sample G. Saucy, Hoffman-La Roche, Inc., Nutley, New Jersey
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-12-17(13(2)27-23-12)11-18-15-9-10-22(4)19(16(15)5-7-20(18)25)6-8-21(22)26-14(3)24/h16,19,21H,5-11H2,1-4H3/t16-,19+,21+,22+/m1/s1
InChIKey WXSPSFCHYCVGPX-XEHJXZTKSA-N
Melting Point 96.5-98.5C
Molecular Weight 371.476990
Optical Properties Optical Rotation= (25C) +3.94 DEG (C=1.523, CHLOROFORM)
Synonyms A-NORANDROST-9-EN-5-ONE, 19-/3,5-DI- METHYL-4-ISOXAZOLYL/-17B-HYDROXY-, ACETATE /ESTER/
Technique KBr WAFER