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2-Oxatricyclo[20.2.2.1(3,7)]heptacosa-3,5,7(27),22,24,25-hexaene-5,24,25-triol
SpectraBase Compound ID CTsAU7vO2T7
InChI InChI=1S/C26H36O4/c27-22-15-20-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-17-24(28)26(25(29)18-21)30-23(16-20)19-22/h15-19,27-29H,1-14H2
InChIKey ORJQIEGXRFXFHY-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIFsUEA58Tf
Name 2-Oxatricyclo[20.2.2.1(3,7)]heptacosa-3,5,7(27),22,24,25-hexaene-5,24,25-triol
CAS Registry Number 27825-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O4
InChI InChI=1S/C26H36O4/c27-22-15-20-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-17-24(28)26(25(29)18-21)30-23(16-20)19-22/h15-19,27-29H,1-14H2
InChIKey ORJQIEGXRFXFHY-UHFFFAOYSA-N
Molecular Weight 412.570 g/mol
SMILES Oc1cc2cc(Oc3c(cc(cc3O)CCCCCCCCCCCCCC2)O)c1
SPLASH splash10-03di-0530900000-b9ae54ad58505b96355b
Source of Spectrum W5-0-0-0
Wiley ID 1374598