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Cholestan-6-one
SpectraBase Compound ID 3yNKe0DTBvs
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,26-,27-/m1/s1
InChIKey WSSZZUWWCXSGKJ-WFDUKQKSSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVoJEtlSDFI
Name CHOLESTAN-6-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 386.354866100 u
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,26-,27-/m1/s1
InChIKey WSSZZUWWCXSGKJ-WFDUKQKSSA-N
Molecular Weight 386.664 g/mol
Nominal Mass 386 u
Number of Peaks 310
SMILES C1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC(C2C1)=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-0ac3-9724000000-208f42d7f1af5959420f
Source File Reference LMCM-30414-596T
Synonyms (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-8-one 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-6-ONE
Wiley ID 8_8405