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(4R,8R)-1-[(2S)-6-methoxy-2,5,7,8-tetramethyl-chroman-2-yl]-4,8,12-trimethyl-tridecan-2-one
SpectraBase Compound ID 2imbOIp5fdG
InChI InChI=1S/C30H50O3/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-26(31)19-30(8)17-16-27-25(7)28(32-9)23(5)24(6)29(27)33-30/h20-22H,10-19H2,1-9H3/t21-,22-,30+/m1/s1
InChIKey VPSZQTZTBWGOBS-WOGZVKCMSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF8aKYJ5zA
Name (4R,8R)-1-[(2S)-6-methoxy-2,5,7,8-tetramethyl-chroman-2-yl]-4,8,12-trimethyl-tridecan-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-26(31)19-30(8)17-16-27-25(7)28(32-9)23(5)24(6)29(27)33-30/h20-22H,10-19H2,1-9H3/t21-,22-,30+/m1/s1
InChIKey VPSZQTZTBWGOBS-WOGZVKCMSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900564
Molecular Weight 458.727 g/mol
SMILES COc1c(C)c(C)c2c(CC[C@](O2)(CC(C[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])=O)C)c1C
SPLASH splash10-0a4i-1250900000-cd472964e5e172351211
Sample Comments dr >99:1
Source of Spectrum QE-25-SM35-23
Thin-Layer Chromatography Rf = 0.50 (SiO2, cHex/EtOAc, 10:1)
Wiley ID 1848535