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2-Oxatricyclo[20.2.2.13.7]heptacosa-3,5,7(27),22,24,25-hexaene-13,15-diyne, 5,24,25-trimethoxy-
SpectraBase Compound ID FpusBiz8KP7
InChI InChI=1S/C29H34O4/c1-30-25-18-23-16-14-12-10-8-6-4-5-7-9-11-13-15-17-24-20-27(31-2)29(28(21-24)32-3)33-26(19-23)22-25/h18-22H,8-17H2,1-3H3
InChIKey GOSUYCQMHBBVEN-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C29H34O4
Exact Mass 446.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13EC52cFnSZ
Name 2-Oxatricyclo[20.2.2.13.7]heptacosa-3,5,7(27),22,24,25-hexaene-13,15-diyne, 5,24,25-trimethoxy-
CAS Registry Number 51852-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34O4
InChI InChI=1S/C29H34O4/c1-30-25-18-23-16-14-12-10-8-6-4-5-7-9-11-13-15-17-24-20-27(31-2)29(28(21-24)32-3)33-26(19-23)22-25/h18-22H,8-17H2,1-3H3
InChIKey GOSUYCQMHBBVEN-UHFFFAOYSA-N
Molecular Weight 446.587 g/mol
SMILES c12Oc3cc(OC)cc(c3)CCCCCC#CC#CCCCCCc(cc1OC)cc2OC
SPLASH splash10-0002-3310900000-8010313eb56064d2721c
Source of Spectrum W5-0-0-0
Synonyms 5,24,25-trimethoxy-2-oxatricyclo[20.2.2.1(3,7)]heptacosa-1(24),3(27),4,6,22,25-hexaene-13,15-diyne
Wiley ID 1386803