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3-Methoxy-21a-homo-19-norpregna-1,3,5(10),16-tetraen-20-one
SpectraBase Compound ID L3Pzdc1v5Kh
InChI InChI=1S/C22H28O2/c1-4-21(23)20-10-9-19-18-7-5-14-13-15(24-3)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,10,13,17-19H,4-5,7,9,11-12H2,1-3H3/t17-,18-,19+,22+/m1/s1
InChIKey TWTTUNWLXAEKTD-IWQHBPENSA-N
Mol Weight 324.46 g/mol
Molecular Formula C22H28O2
Exact Mass 324.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5t1vA1yQ1h2
Name 3-Methoxy-21a-homo-19-norpregna-1,3,5(10),16-tetraen-20-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O2
InChI InChI=1S/C22H28O2/c1-4-21(23)20-10-9-19-18-7-5-14-13-15(24-3)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,10,13,17-19H,4-5,7,9,11-12H2,1-3H3/t17-,18-,19+,22+/m1/s1
InChIKey TWTTUNWLXAEKTD-IWQHBPENSA-N
Molecular Weight 324.464 g/mol
SMILES c1(ccc2c(c1)CC[C@]1([C@@]3(CC=C(C(CC)=O)[C@@]3(C)CC[C@]21[H])[H])[H])OC
SPLASH splash10-00di-2119000000-1fcdd661c4e82ae9ff4e
Source of Spectrum U-1993-1102-4
Synonyms 1-[3-methoxyestra-1,3,5(10),16-tetraen-17-yl]-1-propanone
Wiley ID 765325