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(R*,Z,1'S*,4'R*)-1-Methyl-2-methylene-4-phenethylcyclobutyl)-hexadec-11-en-1-ol
SpectraBase Compound ID CaVDg4npzie
InChI InChI=1S/C30H48O/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29(31)30(3)26(2)25-28(30)24-23-27-20-17-16-18-21-27/h7-8,16-18,20-21,28-29,31H,2,4-6,9-15,19,22-25H2,1,3H3/b8-7-/t28-,29-,30-/m1/s1
InChIKey LVHHXQAPVFJHGR-JTRFXNSOSA-N
Mol Weight 424.7 g/mol
Molecular Formula C30H48O
Exact Mass 424.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aygsIoOpxz
Name (R*,Z,1'S*,4'R*)-1-Methyl-2-methylene-4-phenethylcyclobutyl)-hexadec-11-en-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.370516165 u
Formula C30H48O
InChI InChI=1S/C30H48O/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29(31)30(3)26(2)25-28(30)24-23-27-20-17-16-18-21-27/h7-8,16-18,20-21,28-29,31H,2,4-6,9-15,19,22-25H2,1,3H3/b8-7-/t28-,29-,30-/m1/s1
InChIKey LVHHXQAPVFJHGR-JTRFXNSOSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 424.713 g/mol
Reported Formula C30H48O
SMILES O[C@@]([C@]1([C@@](CC1=C)(CCC=1C=CC=CC1)[H])C)(CCCCCCCCC\C=C/CCCC)[H]
SPLASH splash10-014i-0009100000-238fa4572969b95f1967
Sample Comments dr = 99:1:0:0
Source of Spectrum QE-23-SM16-12b (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.16 (hexane/EtOAc, 98:2, UV, KMnO4, PAA)
Wiley ID 1903851