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Cholesta-3,5-dien-7-one
SpectraBase Compound ID EvjUAKtSNE4
InChI InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3
InChIKey TTXJJFWWNDJDNR-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoBeASxwtxN
Name 17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-1,2,8,9,10,11,12,13,14,15,16,17-DODECAHYDROCYCLOPENTA[a]PHENANTHREN-7-ONE
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Formula C27H42O
InChI InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3
InChIKey TTXJJFWWNDJDNR-UHFFFAOYSA-N
Molecular Weight 382.3225
SMILES C1=CC2=CC(=O)C3C4CCC(C(CCCC(C)C)C)C4(C)CCC3C2(C)CC1
SPLASH splash10-00e9-4912000000-2dd76111f11d0c834d1f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany