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D-Homopregn-4-ene-3,11,15,20-tetrone
SpectraBase Compound ID LHXmAAwoDS4
InChI InChI=1S/C22H28O4/c1-12(23)13-8-17(25)19-16-5-4-14-9-15(24)6-7-22(14,3)20(16)18(26)11-21(19,2)10-13/h9,13,16,19-20H,4-8,10-11H2,1-3H3/t13?,16?,19?,20?,21-,22-/m0/s1
InChIKey RXFBNDAREMMGCF-RTLRUCIGSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkHdQyzMMqO
Name D-Homopregn-4-ene-3,11,15,20-tetrone
CAS Registry Number 72921-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-12(23)13-8-17(25)19-16-5-4-14-9-15(24)6-7-22(14,3)20(16)18(26)11-21(19,2)10-13/h9,13,16,19-20H,4-8,10-11H2,1-3H3/t13?,16?,19?,20?,21-,22-/m0/s1
InChIKey RXFBNDAREMMGCF-RTLRUCIGSA-N
Molecular Weight 356.462 g/mol
SMILES [C@@]12(C(C3CCC=4[C@@](C3C(C2)=O)(CCC(=O)C4)C)C(=O)CC(C1)C(=O)C)C
SPLASH splash10-05fr-1798000000-26f8974aee5831461e65
Source of Spectrum K-113-218-0
Synonyms (4aR,6aS)-8-acetyl-4a,6a-dimethyl-3,4,4a,4b,6a,7,8,9,10a,10b,11,12-dodecahydro-2,5,10(6H)-chrysenetrione D-homo-4-pregnen-3,11,15,20-tetraone
Wiley ID 1346044