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Cholestane
SpectraBase Compound ID 6iGUHi2oUzz
InChI InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey XIIAYQZJNBULGD-LDHZKLTISA-N
Mol Weight 372.7 g/mol
Molecular Formula C27H48
Exact Mass 372.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGnerSKY1mL
Name CHOLESTANE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 372.375601546 u
Formula C27H48
InChI InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey XIIAYQZJNBULGD-LDHZKLTISA-N
Molecular Weight 372.681 g/mol
Nominal Mass 372 u
Number of Peaks 207
SMILES C1CC[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
SPLASH splash10-06di-9764000000-aac1e3ffa854c9675ddf
Source File Reference LMCM-42678-409L
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (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)]heptadecane
Wiley ID 8_12944