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3,7,14,21-Tetraoxatricyclo[20.3.1.19,13]heptacosa-1(26),9,11,13(27),22,24-hexaene-16,18-diyne-2,8-dione, 10,25-dihydroxy-
SpectraBase Compound ID ABR0heLgTkm
InChI InChI=1S/C23H18O8/c24-20-8-6-16-14-18(20)22(26)30-12-5-13-31-23(27)19-15-17(7-9-21(19)25)29-11-4-2-1-3-10-28-16/h6-9,14-15,24-25H,5,10-13H2
InChIKey SXIGZNSIHUGYAN-UHFFFAOYSA-N
Mol Weight 422.39 g/mol
Molecular Formula C23H18O8
Exact Mass 422.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4IUb56bQBc
Name 3,7,14,21-Tetraoxatricyclo[20.3.1.19,13]heptacosa-1(26),9,11,13(27),22,24-hexaene-16,18-diyne-2,8-dione, 10,25-dihydroxy-
CAS Registry Number 84198-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18O8
InChI InChI=1S/C23H18O8/c24-20-8-6-16-14-18(20)22(26)30-12-5-13-31-23(27)19-15-17(7-9-21(19)25)29-11-4-2-1-3-10-28-16/h6-9,14-15,24-25H,5,10-13H2
InChIKey SXIGZNSIHUGYAN-UHFFFAOYSA-N
Molecular Weight 422.389 g/mol
SMILES Oc1c2C(OCCCOC(c3c(ccc(OCC#CC#CCOc(cc1)c2)c3)O)=O)=O
SPLASH splash10-03dr-6910000000-876435ccb0c6ffd074e9
Source of Spectrum C-111-3648-9
Synonyms 1,8,16,20-Tetraoxa-15,21-dioxo[8.7]metacyclopha-3,5-diyne-12,23-diol 10,25-dihydroxy-3,7,14,21-tetraoxatricyclo[20.3.1.1(9,13)]heptacosa-1(26),9(27),10,12,22,24-hexaene-16,18-diyne-2,8-dione NSC 370163
Wiley ID 1378578