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6-methoxy-5,7,8-trimethyl-1'-[(2S,6R)-2,6,10-trimethylundecyl]spiro[chromane-2,3'-cyclobutane]-1'-ol
SpectraBase Compound ID 1RmRR6O7sGP
InChI InChI=1S/C30H50O3/c1-20(2)11-9-12-21(3)13-10-14-22(4)17-29(31)18-30(19-29)16-15-26-25(7)27(32-8)23(5)24(6)28(26)33-30/h20-22,31H,9-19H2,1-8H3/t21-,22+,29?,30?/m1/s1
InChIKey YDFDBYGDGWOZPL-FGKSDTIHSA-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 FLASemBursN
Name 6-methoxy-5,7,8-trimethyl-1'-[(2S,6R)-2,6,10-trimethylundecyl]spiro[chromane-2,3'-cyclobutane]-1'-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-20(2)11-9-12-21(3)13-10-14-22(4)17-29(31)18-30(19-29)16-15-26-25(7)27(32-8)23(5)24(6)28(26)33-30/h20-22,31H,9-19H2,1-8H3/t21-,22+,29?,30?/m1/s1
InChIKey YDFDBYGDGWOZPL-FGKSDTIHSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900564
Molecular Weight 458.727 g/mol
Optical Rotation [a]D20 = 6.64 (589 nm)
SMILES OC1(CC2(Oc3c(c(c(OC)c(c3CC2)C)C)C)C1)C[C@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H]
SPLASH splash10-014i-1190000000-05ed794a09933cb15d74
Source of Spectrum QE-25-SM33-dia-22
Thin-Layer Chromatography Rf = 0.19 (SiO2, cHex/EtOAc, 15:1)
Wiley ID 1848542