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1-Methylcholestan-3-one
SpectraBase Compound ID DBVcfbXovCd
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h18-21,23-26H,7-17H2,1-6H3
InChIKey ISADDWKEOLGOGP-UHFFFAOYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fZEWAU1H9I
Name 17-(1,5-DIMETHYLHEXYL)-1,10,13-TRIMETHYLHEXADECAHYDROCYCLOPENTA[a]PHENANTHREN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h18-21,23-26H,7-17H2,1-6H3
InChIKey ISADDWKEOLGOGP-UHFFFAOYSA-N
Molecular Weight 400.3693
SMILES C12CCC3(C)C(C(C)CCCC(C)C)CCC3C2CCC2CC(=O)CC(C)C12C
SPLASH splash10-053r-9721000000-b2cd569f5d6e703eda45
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany