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(6S,7S,9R,10R)-6,9-Epoxynonadec-18-ene-7,10-diol 7 Icosa-5',8'-11',14'-tetraeneoate
SpectraBase Compound ID 8TEEpdMEI7P
InChI InChI=1S/C39H66O4/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-27-30-33-39(41)43-38-34-37(42-36(38)32-28-9-6-3)35(40)31-29-26-24-13-11-8-5-2/h5,14-15,17-18,20-21,23,25,35-38,40H,2,4,6-13,16,19,22,24,26-34H2,1,3H3/b15-14+,18-17+,21-20+,25-23+/t35-,36-,37-,38+/m1/s1
InChIKey PNOKQQPPAQVXES-AWMZPHDFSA-N
Mol Weight 599.0 g/mol
Molecular Formula C39H66O4
Exact Mass 598.496111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RvhBYmtn7i
Name (6S,7S,9R,10R)-6,9-Epoxynonadec-18-ene-7,10-diol 7 Icosa-5',8'-11',14'-tetraeneoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H66O4
InChI InChI=1S/C39H66O4/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-27-30-33-39(41)43-38-34-37(42-36(38)32-28-9-6-3)35(40)31-29-26-24-13-11-8-5-2/h5,14-15,17-18,20-21,23,25,35-38,40H,2,4,6-13,16,19,22,24,26-34H2,1,3H3/b15-14+,18-17+,21-20+,25-23+/t35-,36-,37-,38+/m1/s1
InChIKey PNOKQQPPAQVXES-AWMZPHDFSA-N
Molecular Weight 598.953 g/mol
SMILES O[C@@]([C@@]1(O[C@@]([C@@](OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC)(C1)[H])(CCCCC)[H])[H])(CCCCCCCC=C)[H]
SPLASH splash10-000i-7900000000-ddce6bf4e87175452c12
Source of Spectrum B-44-852-3
Synonyms (2R,3S,5R)-5-[(1R)-1-hydroxy-9-decenyl]-2-pentyltetrahydro-3-furanyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate
Wiley ID 1410012