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Totarol
SpectraBase Compound ID 6caooolmDG5
InChI InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
InChIKey ZRVDANDJSTYELM-FXAWDEMLSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73PyNFoRwdP
Name (+)-Totarol
Appearance Yellow crystalline substance
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
InChIKey ZRVDANDJSTYELM-FXAWDEMLSA-N
Instrument Name Hewlett Packard 5890-5972 or Agilent 6890N-5973N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.313
Molecular Weight 286.459 g/mol
Optical Rotation [a]D20 =+41.5 (c = 1.025, CH2Cl2)
SMILES Oc1ccc2c(CC[C@@]3([C@@]2(CCCC3(C)C)C)[H])c1C(C)C
SPLASH splash10-00g0-0490000000-9c5ce181b1fdcd873799
Source of Spectrum ARK-2012-179-1
Thin-Layer Chromatography Rf = 0.36 (pentane/EtOAc, 10:1), 0.22 (pentane/EtOAc, 20:1)
Wiley ID 1864546