For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoic acid

View entire compound with spectra: 1 MS (GC)

(2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoic acid
SpectraBase Compound ID JSWWPBCeFud
InChI InChI=1S/C29H50O4/c1-3-5-7-9-10-11-12-13-17-21-26(33-24-25-19-15-14-16-20-25)23-28(30)27(29(31)32)22-18-8-6-4-2/h14-16,19-20,26-28,30H,3-13,17-18,21-24H2,1-2H3,(H,31,32)/t26-,27-,28-/m0/s1
InChIKey NYMBAVXCWMVOCP-KCHLEUMXSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5TQog09tTG1
Name (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoic acid
Alternate Name(s) (2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-hexadecanoic acid (2S,3S,5S)-5-benzoxy-2-hexyl-3-hydroxy-palmitic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-3-5-7-9-10-11-12-13-17-21-26(33-24-25-19-15-14-16-20-25)23-28(30)27(29(31)32)22-18-8-6-4-2/h14-16,19-20,26-28,30H,3-13,17-18,21-24H2,1-2H3,(H,31,32)/t26-,27-,28-/m0/s1
InChIKey NYMBAVXCWMVOCP-KCHLEUMXSA-N
Molecular Weight 462.715 g/mol
SMILES OC([C@]([C@](C[C@@](OCc1ccccc1)(CCCCCCCCCCC)[H])(O)[H])(CCCCCC)[H])=O
SPLASH splash10-0006-9300000000-326ddb55f5acda66a8d7
Source of Spectrum KC-0-2685-20
Wiley ID 826059