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

*Links on SpectraBase are not permalinks.

Methyl (8S,9R,5Z,10Z,12E,14E)-8,9-dihydroxy-5,10,12,14-eicosatetraenoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (8S,9R,5Z,10Z,12E,14E)-8,9-dihydroxy-5,10,12,14-eicosatetraenoate
SpectraBase Compound ID 9IIRsutmvtp
InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-13-16-19(22)20(23)17-14-11-12-15-18-21(24)25-2/h7-11,13-14,16,19-20,22-23H,3-6,12,15,17-18H2,1-2H3/b8-7+,10-9+,14-11-,16-13-/t19-,20+/m1/s1
InChIKey AUXHZOXRRZHHSA-HTGLCONESA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DgdXOfbPdm1
Name Methyl (8S,9R,5Z,10Z,12E,14E)-8,9-dihydroxy-5,10,12,14-eicosatetraenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.245709571 u
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-13-16-19(22)20(23)17-14-11-12-15-18-21(24)25-2/h7-11,13-14,16,19-20,22-23H,3-6,12,15,17-18H2,1-2H3/b8-7+,10-9+,14-11-,16-13-/t19-,20+/m1/s1
InChIKey AUXHZOXRRZHHSA-HTGLCONESA-N
Molecular Weight 350.499 g/mol
SMILES C(=O)(OC)CCC\C=C/C[C@@]([C@@](\C=C/C=C/C=C/CCCCC)(O)[H])(O)[H]