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D-Homopregn-17a(20)-ene, (5.alpha.,17aE)-
SpectraBase Compound ID 6JF3l3mPPXm
InChI InChI=1S/C22H36/c1-4-16-9-7-10-19-18-12-11-17-8-5-6-14-21(17,2)20(18)13-15-22(16,19)3/h4,17-20H,5-15H2,1-3H3/b16-4+
InChIKey OPIXPTCXWSGSHE-AYSLTRBKSA-N
Mol Weight 300.5 g/mol
Molecular Formula C22H36
Exact Mass 300.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzMsexGqCaO
Name D-Homopregn-17a(20)-ene, (5.alpha.,17aE)-
CAS Registry Number 54482-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36
InChI InChI=1S/C22H36/c1-4-16-9-7-10-19-18-12-11-17-8-5-6-14-21(17,2)20(18)13-15-22(16,19)3/h4,17-20H,5-15H2,1-3H3/b16-4+
InChIKey OPIXPTCXWSGSHE-AYSLTRBKSA-N
Molecular Weight 300.530 g/mol
SMILES C\C=C/1CCCC2C3CCC4CCCCC4(C)C3CCC12C
SPLASH splash10-0ul9-6941000000-fc3eb3586cab3cbea9a5
Source of Spectrum SD-1981-0-0
Synonyms (1E)-1-Ethylidene-10a,12a-dimethyloctadecahydrochrysene (7E)-7-ethylidene-4a,6a-dimethyl-2,3,4,4b,5,6,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-chrysene
Wiley ID 1303513