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(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
SpectraBase Compound ID GzciZBeDsnQ
InChI InChI=1S/C31H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28-29(2)33-31(30)32/h10-11,28-29H,3-9,12-27H2,1-2H3/b11-10-/t29-/m1/s1
InChIKey FUVDRBZZKGXIMN-RBVRFEOHSA-N
Mol Weight 460.8 g/mol
Molecular Formula C31H56O2
Exact Mass 460.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92ovwgt7RdY
Name (2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
Appearance Amorphous white powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56O2
InChI InChI=1S/C31H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28-29(2)33-31(30)32/h10-11,28-29H,3-9,12-27H2,1-2H3/b11-10-/t29-/m1/s1
InChIKey FUVDRBZZKGXIMN-RBVRFEOHSA-N
Instrument Name Kratos MS 50
Ionization Type EI
Literature Reference DOI 10.1021/np020169l
Molecular Weight 460.787 g/mol
Optical Rotation [a]D25 = -25 (c = 1.0, CHCl3)
SMILES C1(O[C@@](C=C1CCCCCCCCCCCCCCCC\C=C/CCCCCCCC)(C)[H])=O
SPLASH splash10-0ce9-9200200000-0b3db728f590cddc1fe4
Source of Spectrum G4-65-1415-2b
Wiley ID 1883408