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DIFCTNZAEJDHLR-WWNPGLIZSA-N
SpectraBase Compound ID 6uU6X1Bab2T
InChI InChI=1S/C23H36O5/c1-22(27,17-23(2)20(25)16-21(26)28-23)15-9-7-5-3-4-6-8-10-18-11-13-19(24)14-12-18/h11-14,20,24-25,27H,3-10,15-17H2,1-2H3/t20-,22+,23-/m0/s1
InChIKey DIFCTNZAEJDHLR-WWNPGLIZSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRViTNbPPd5
Name (4S,5S)-4-hydroxy-5-[(2R)-2-hydroxy-11-(4-hydroxyphenyl)-2-methyl-undecyl]-5-methyl-tetrahydrofuran-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-22(27,17-23(2)20(25)16-21(26)28-23)15-9-7-5-3-4-6-8-10-18-11-13-19(24)14-12-18/h11-14,20,24-25,27H,3-10,15-17H2,1-2H3/t20-,22+,23-/m0/s1
InChIKey DIFCTNZAEJDHLR-WWNPGLIZSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np100461t
Molecular Weight 392.536 g/mol
Optical Rotation [a]D20 = +31 (c = 0.2, CHCl3)
Reported Formula C23H36O5
SMILES O[C@]1(CC(O[C@]1(C[C@](CCCCCCCCCc1ccc(cc1)O)(C)O)C)=O)[H]
SPLASH splash10-0a4i-0900000000-3d5a6776302b7f7d7430
Source of Spectrum G4-73-1698-12
Wiley ID 1848870