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PREGNA-16,20-DIENE
SpectraBase Compound ID GeDfe3OgAVa
InChI InChI=1S/C21H32/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4,9,16-19H,1,5-8,10-14H2,2-3H3/t16?,17-,18-,19-,20-,21+/m0/s1
InChIKey CPUKWYXYHPOQJH-RDQPJNLGSA-N
Mol Weight 284.5 g/mol
Molecular Formula C21H32
Exact Mass 284.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fMSsC8B9Ay
Name (8R,9S,10S,13S,14S)-10,13-dimethyl-17-vinyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene
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Formula C21H32
InChI InChI=1S/C21H32/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4,9,16-19H,1,5-8,10-14H2,2-3H3/t16?,17-,18-,19-,20-,21+/m0/s1
InChIKey CPUKWYXYHPOQJH-RDQPJNLGSA-N
Molecular Weight 284.487 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC=C1C=C)[H])C
SPLASH splash10-06di-2690000000-9273c19f055358137e56
Source of Spectrum QC-2-634-4
Synonyms (8R,9S,10S,13S,14S)-17-ethenyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 882965