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CHOLESTAN-4-OL
SpectraBase Compound ID 8p3se3w7ooS
InChI InChI=1S/C27H48O/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,25?,26-,27-/m1/s1
InChIKey GMYIQXIETNKRRM-XHCXQBPHSA-N
Mol Weight 388.7 g/mol
Molecular Formula C27H48O
Exact Mass 388.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCer9kV24Ku
Name CHOLESTAN-4-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 388.370516165 u
Formula C27H48O
InChI InChI=1S/C27H48O/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,25?,26-,27-/m1/s1
InChIKey GMYIQXIETNKRRM-XHCXQBPHSA-N
Molecular Weight 388.680 g/mol
Nominal Mass 388 u
Number of Peaks 289
SMILES OC1CCC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC12)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-053r-9642000000-5bb267be72c9df50325c
Source File Reference LMCM-91717-854K
Synonyms 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-4-OL (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-6-ol
Wiley ID 8_8764