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2,9,16,28-Tetraoxatricyclo[28.3.1.110,14]pentatriaconta-1(34),10,12,14(35),30,32-hexaene-4,6-diyne-15,29-dione, 13,31-dihydroxy-
SpectraBase Compound ID 8zVWt6fkvAx
InChI InChI=1S/C31H34O8/c32-28-16-14-24-22-26(28)30(34)38-20-12-6-4-2-1-3-5-7-13-21-39-31(35)27-23-25(15-17-29(27)33)37-19-11-9-8-10-18-36-24/h14-17,22-23,32-33H,1-7,12-13,18-21H2
InChIKey FGHNMLRFFQNOIY-UHFFFAOYSA-N
Mol Weight 534.6 g/mol
Molecular Formula C31H34O8
Exact Mass 534.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiZC5sVSvoe
Name 2,9,16,28-Tetraoxatricyclo[28.3.1.110,14]pentatriaconta-1(34),10,12,14(35),30,32-hexaene-4,6-diyne-15,29-dione, 13,31-dihydroxy-
CAS Registry Number 120296-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34O8
InChI InChI=1S/C31H34O8/c32-28-16-14-24-22-26(28)30(34)38-20-12-6-4-2-1-3-5-7-13-21-39-31(35)27-23-25(15-17-29(27)33)37-19-11-9-8-10-18-36-24/h14-17,22-23,32-33H,1-7,12-13,18-21H2
InChIKey FGHNMLRFFQNOIY-UHFFFAOYSA-N
Molecular Weight 534.605 g/mol
SMILES Oc1c2C(OCCCCCCCCCCCOC(c3cc(ccc3O)OCC#CC#CCOc(cc1)c2)=O)=O
SPLASH splash10-0fa9-0970160000-a386eb11a8c2bbac2a6e
Source of Spectrum C-111-3648-9
Synonyms 13,31-dihydroxy-2,9,16,28-tetraoxatricyclo[28.3.1.1(10,14)]pentatriaconta-1(34),10(35),11,13,30,32-hexaene-4,6-diyne-15,29-dione 2,14,22,29-Tetraoxa-1,15-1,15-dioxo[15,8]metacyclopha-24,26-diyne-17,33-diol
Wiley ID 1403848