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(22E)-CHOLESTA-4,6,8(14),22-TETRAEN-3-ONE
SpectraBase Compound ID JoKoZrULdWr
InChI InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23-,25+,26+,27-/m1/s1
InChIKey AJRNPFZYKICTEM-AQAVSRJYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C27H38O
Exact Mass 378.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1K0ZjYGlTt
Name (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
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Formula C27H38O
InChI InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23-,25+,26+,27-/m1/s1
InChIKey AJRNPFZYKICTEM-AQAVSRJYSA-N
Molecular Weight 378.600 g/mol
SMILES C1(CC[C@]2(C(=C1)C=CC1=C3CC[C@]([C@@](\C=C\CC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])C)=O
SPLASH splash10-02k9-0396000000-1d9679998a2e684047e8
Source of Spectrum X2-52-1333-1
Synonyms (9R,10R,13R,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1603349