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Cholestan-2-one
SpectraBase Compound ID 6a1raIPybRH
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey RHEVDIMHCWCAIX-PMYUOVRYSA-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 2JiKpKiKKJ5
Name CHOLESTAN-2-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)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey RHEVDIMHCWCAIX-PMYUOVRYSA-N
Molecular Weight 386.664 g/mol
Nominal Mass 386 u
Number of Peaks 300
SMILES C1C(C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O
SPLASH splash10-001i-9862000000-dc5769e97832c70220cc
Source File Reference LMCM-37776-364S
Synonyms 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-2-ONE (1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-4-one
Wiley ID 8_8631