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2,9,17,24-TETRAOXA-1,10-DIOXO-[10.8]-METACYCLOPHA-19,21-DIYNE-12,18-DIOL
SpectraBase Compound ID H8ZcOt1z5fq
InChI InChI=1S/C26H24O8/c27-23-11-9-19-17-21(23)25(29)33-15-7-3-4-8-16-34-26(30)22-18-20(10-12-24(22)28)32-14-6-2-1-5-13-31-19/h9-12,17-18,27-28H,3-4,7-8,13-16H2
InChIKey KEAPDMDVYLEYGM-UHFFFAOYSA-N
Mol Weight 464.47 g/mol
Molecular Formula C26H24O8
Exact Mass 464.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1R0dGSqAfM
Name 2,9,16,23-Tetraoxatricyclo[23.3.1.110,14]triaconta-1(29),10,12,14(30),25,27-hexaene-4,6-diyne-15,24-dione, 13,26-dihydroxy-
CAS Registry Number 120296-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O8
InChI InChI=1S/C26H24O8/c27-23-11-9-19-17-21(23)25(29)33-15-7-3-4-8-16-34-26(30)22-18-20(10-12-24(22)28)32-14-6-2-1-5-13-31-19/h9-12,17-18,27-28H,3-4,7-8,13-16H2
InChIKey KEAPDMDVYLEYGM-UHFFFAOYSA-N
Molecular Weight 464.470 g/mol
SMILES Oc1c2C(OCCCCCCOC(c3c(ccc(OCC#CC#CCOc(cc1)c2)c3)O)=O)=O
SPLASH splash10-01p9-0940300000-559bad06f067a8aacc45
Source of Spectrum C-111-3648-9
Synonyms 13,26-dihydroxy-2,9,16,23-tetraoxatricyclo[23.3.1.1(10,14)]triaconta-1(29),10(30),11,13,25,27-hexaene-4,6-diyne-15,24-dione 2,9,17,24-TETRAOXA-1,10-DIOXO[10.8]METACYCLOPHA-19-21-DIYNE-12,28-DIOL
Wiley ID 1391491