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(5E)-7-Methoxy-2,4,6-trimethyl-1-(1,3-oxazol-5-ylmethyl)-7-oxo-5-heptenyl (2E)-7-(acetyloxy)-2,4,6-trimethyl-8-(1,3-oxazol-5-yl)-2-octenoate

View entire compound with spectra: 2 MS (GC)

(5E)-7-Methoxy-2,4,6-trimethyl-1-(1,3-oxazol-5-ylmethyl)-7-oxo-5-heptenyl (2E)-7-(acetyloxy)-2,4,6-trimethyl-8-(1,3-oxazol-5-yl)-2-octenoate
SpectraBase Compound ID KgF6C781cH4
InChI InChI=1S/C31H44N2O8/c1-19(11-23(5)30(35)37-8)10-22(4)29(14-27-16-33-18-39-27)41-31(36)24(6)12-20(2)9-21(3)28(40-25(7)34)13-26-15-32-17-38-26/h11-12,15-22,28-29H,9-10,13-14H2,1-8H3/b23-11-,24-12+
InChIKey QKUOECWFAXZIJL-QEUMEHMPSA-N
Mol Weight 572.7 g/mol
Molecular Formula C31H44N2O8
Exact Mass 572.309766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D87Nas9xoGB
Name (5E)-7-Methoxy-2,4,6-trimethyl-1-(1,3-oxazol-5-ylmethyl)-7-oxo-5-heptenyl (2E)-7-(acetyloxy)-2,4,6-trimethyl-8-(1,3-oxazol-5-yl)-2-octenoate
CAS Registry Number 104336-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44N2O8
InChI InChI=1S/C31H44N2O8/c1-19(11-23(5)30(35)37-8)10-22(4)29(14-27-16-33-18-39-27)41-31(36)24(6)12-20(2)9-21(3)28(40-25(7)34)13-26-15-32-17-38-26/h11-12,15-22,28-29H,9-10,13-14H2,1-8H3/b23-11-,24-12+
InChIKey QKUOECWFAXZIJL-QEUMEHMPSA-N
Molecular Weight 572.699 g/mol
SMILES C(=O)(\C(=C/C(CC(C(Cc1cnco1)OC(=O)\C(C)=C\C(C)CC(C)C(Cc1cnco1)OC(=O)C)C)C)C)OC
SPLASH splash10-0gwr-7940000000-9bb8c61e7b1385ab09e1
Synonyms 2-Octenoic acid, 7-(acetyloxy)-2,4,6-trimethyl-8-(5-oxazolyl)-, 7-methoxy-2,4,6-trimethyl-1-(5-oxazolylmethyl)-7-oxo-5-heptenyl ester
Wiley ID 1485697