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6-(Non-7-yn-1-yl)-2-oxo-3-((5Z,8E,11Z)-tetradeca-5,8,11-trien-2-yn-7-yl)-2H-pyran-4-yl acetate
SpectraBase Compound ID 2PDs7ZXO8hB
InChI InChI=1S/C30H38O4/c1-5-8-11-14-15-17-20-23-27-24-28(33-25(4)31)29(30(32)34-27)26(21-18-13-10-7-3)22-19-16-12-9-6-2/h9,12,18-19,21-22,24,26H,6,11,13-17,20,23H2,1-4H3/b12-9-,21-18-,22-19+
InChIKey KDZKNTCKMSGEEE-CTVYYPMGSA-N
Mol Weight 462.6 g/mol
Molecular Formula C30H38O4
Exact Mass 462.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BjVZ4fx0U7
Name 6-(Non-7-yn-1-yl)-2-oxo-3-((5Z,8E,11Z)-tetradeca-5,8,11-trien-2-yn-7-yl)-2H-pyran-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38O4
InChI InChI=1S/C30H38O4/c1-5-8-11-14-15-17-20-23-27-24-28(33-25(4)31)29(30(32)34-27)26(21-18-13-10-7-3)22-19-16-12-9-6-2/h9,12,18-19,21-22,24,26H,6,11,13-17,20,23H2,1-4H3/b12-9-,21-18-,22-19+
InChIKey KDZKNTCKMSGEEE-CTVYYPMGSA-N
Literature Reference DOI 10.1002/anie.201203180
Molecular Weight 462.630 g/mol
SMILES C=1C(=C(C(\C=C\C\C=C/CC)\C=C/CC#CC)C(OC1CCCCCCC#CC)=O)OC(=O)C
SPLASH splash10-0l2f-7619200000-0ed7d0ca1a927952acea
Source of Spectrum ACI-51-SMS10-23
Wiley ID 1780390