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2,9,16,24-Tetraoxatricyclo[24.3.1.110,14]hentriaconta-1(30),10,12,14(31),26,28-hexaene-4,6-diyne-15,25-dione, 13,27-dihydroxy-
SpectraBase Compound ID HZovvxxFSOh
InChI InChI=1S/C27H26O8/c28-24-12-10-20-18-22(24)26(30)34-16-8-2-1-3-9-17-35-27(31)23-19-21(11-13-25(23)29)33-15-7-5-4-6-14-32-20/h10-13,18-19,28-29H,1-3,8-9,14-17H2
InChIKey NZPUGLBWNLRYSM-UHFFFAOYSA-N
Mol Weight 478.5 g/mol
Molecular Formula C27H26O8
Exact Mass 478.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yGRZ5mKJHm
Name 2,9,16,24-Tetraoxatricyclo[24.3.1.110,14]hentriaconta-1(30),10,12,14(31),26,28-hexaene-4,6-diyne-15,25-dione, 13,27-dihydroxy-
CAS Registry Number 120296-76-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O8
InChI InChI=1S/C27H26O8/c28-24-12-10-20-18-22(24)26(30)34-16-8-2-1-3-9-17-35-27(31)23-19-21(11-13-25(23)29)33-15-7-5-4-6-14-32-20/h10-13,18-19,28-29H,1-3,8-9,14-17H2
InChIKey NZPUGLBWNLRYSM-UHFFFAOYSA-N
Molecular Weight 478.497 g/mol
SMILES Oc1c2C(OCCCCCCCOC(c3c(ccc(OCC#CC#CCOc(cc1)c2)c3)O)=O)=O
SPLASH splash10-000i-0920100000-5d976771476e0a5bf13e
Source of Spectrum C-111-3648-9
Synonyms 13,27-dihydroxy-2,9,16,24-tetraoxatricyclo[24.3.1.1(10,14)]hentriaconta-1(30),10(31),11,13,26,28-hexaene-4,6-diyne-15,25-dione 2,10,18,25-Tetraoxa-1,11-dioxo[11.8]metacyclopha-20,22-diyne-13,29-diol
Wiley ID 1394767