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19-NORPREGN-4-EN-20-YN-3-ONE, 17-(ACETYLOXY)-, (17alpha)-
SpectraBase Compound ID 1mhWcnKSh0H
InChI InChI=1S/C21H28O3/c1-4-21(24-14(2)22)11-8-19-18-6-5-15-13-23-12-9-16(15)17(18)7-10-20(19,21)3/h1,13,16-19H,5-12H2,2-3H3/t16?,17?,18?,19?,20-,21?/m0/s1
InChIKey YLBVOULFXLEFCU-OPFHRDBUSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dQVPga0hb7
Name 19-NORPREGN-4-EN-20-YN-3-ONE, 17-(ACETYLOXY)-, (17.ALPHA.)-
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-4-21(24-14(2)22)11-8-19-18-6-5-15-13-23-12-9-16(15)17(18)7-10-20(19,21)3/h1,13,16-19H,5-12H2,2-3H3/t16?,17?,18?,19?,20-,21?/m0/s1
InChIKey YLBVOULFXLEFCU-OPFHRDBUSA-N
Molecular Weight 328.452 g/mol
Nominal Mass 328 u
Number of Peaks 222
SMILES C(C)(=O)OC1(CCC2C3CCC4=COCCC4C3CC[C@]12C)C#C
SPLASH splash10-0006-8952000000-b1dd52dc253aea3e51da
Source File Reference LMCM-24819-295B
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms 17-ETHYNYL-3-OXOESTR-4-EN-17-YL ACETATE (15S)-14-ethynyl-15-methyl-5-oxatetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-14-yl acetate
Wiley ID 8_30082