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5b-Cholestan-3a-ol
SpectraBase Compound ID IKbF52gSg5w
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QYIXCDOBOSTCEI-KKFSNPNRSA-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 GpCOcyoR58Q
Name Cholestan-3-ol, (3..alpha..,5..beta..)-
Carrier Gas Helium (54.1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.370516165 u
Formula C27H48O
GC Column SH-Rxi-5silMS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QYIXCDOBOSTCEI-KKFSNPNRSA-N
Inlet Type Split ratio (50:05)
Instrument Name Shimadzu TQ8050 plus
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300332
Molecular Weight 388.680 g/mol
Quality 649
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H]
SPLASH splash10-066u-9721000000-724a9d783172c410f9b9
Source of Spectrum CBD-20-SM14-14-3 (DOI: 10.1002/cbdv.202300332)
Wiley ID 1909910