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(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]chromane
SpectraBase Compound ID 1vVVmKFdFv5
InChI InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3/t22-,23+,30-/m1/s1
InChIKey SCLDYIHKBCFVTE-DUELTEGESA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOEokl1iK0Y
Name (2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]chromane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3/t22-,23+,30-/m1/s1
InChIKey SCLDYIHKBCFVTE-DUELTEGESA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900564
Molecular Weight 444.744 g/mol
Optical Rotation [a]D20 = 3.03 (589 nm)
SMILES COc1c(C)c(C)c2c(CC[C@](O2)(CCC[C@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)c1C
SPLASH splash10-004l-2910500000-3b4837fcf9ed1d4b3a9e
Source of Spectrum QE-25-SM43-dia-15
Thin-Layer Chromatography Rf = 0.51 (SiO2, cHex/EtOAc, 30:1)
Wiley ID 1848541