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(13'R,5S)-3-(13'-Hydroxytriacontyl)-5-methylfuran-2(5H)-one(reticulatamol)
SpectraBase Compound ID LVrDkV8sTqs
InChI InChI=1S/C35H66O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32,34,36H,3-30H2,1-2H3/t32-,34?/m1/s1
InChIKey IWBHCLOBTQKEFG-GAWVXTGCSA-N
Mol Weight 534.9 g/mol
Molecular Formula C35H66O3
Exact Mass 534.501196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bgvyh2kSz1V
Name (13'R,5S)-3-(13'-Hydroxytriacontyl)-5-methylfuran-2(5H)-one(reticulatamol)
Alternate Name(s) (5R)-3-(13-hydroxytriacontyl)-5-methyl-2(5H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H66O3
InChI InChI=1S/C35H66O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32,34,36H,3-30H2,1-2H3/t32-,34?/m1/s1
InChIKey IWBHCLOBTQKEFG-GAWVXTGCSA-N
Molecular Weight 534.910 g/mol
SMILES OC(CCCCCCCCCCCCC=1C(O[C@](C)(C1)[H])=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0002-0090010000-c1871ea1be3aaecfdda1
Source of Spectrum J-59-7141-14
Wiley ID 1403892