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2,9,16,26-Tetraoxatricyclo[26.3.1.110,14]tritriaconta-1(32),10,12,14(33),28,30-hexaene-4,6-diyne-15,27-dione, 13,29-dihydroxy-
SpectraBase Compound ID 5ur1GBE22zh
InChI InChI=1S/C29H30O8/c30-26-14-12-22-20-24(26)28(32)36-18-10-4-2-1-3-5-11-19-37-29(33)25-21-23(13-15-27(25)31)35-17-9-7-6-8-16-34-22/h12-15,20-21,30-31H,1-5,10-11,16-19H2
InChIKey QHLZJEKPTQFJJI-UHFFFAOYSA-N
Mol Weight 506.55 g/mol
Molecular Formula C29H30O8
Exact Mass 506.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILBvf7RyRM0
Name 2,9,16,26-Tetraoxatricyclo[26.3.1.110,14]tritriaconta-1(32),10,12,14(33),28,30-hexaene-4,6-diyne-15,27-dione, 13,29-dihydroxy-
Alternate Name(s) 13,29-dihydroxy-2,9,16,26-tetraoxatricyclo[26.3.1.1(10,14)]tritriaconta-1(32),10(33),11,13,28,30-hexaene-4,6-diyne-15,27-dione 2,12,20,27-Tetraoxa-1,13-dioxo[13,8]metacyclopha-22,24-diyne-15,31-diol
CAS Registry Number 120296-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30O8
InChI InChI=1S/C29H30O8/c30-26-14-12-22-20-24(26)28(32)36-18-10-4-2-1-3-5-11-19-37-29(33)25-21-23(13-15-27(25)31)35-17-9-7-6-8-16-34-22/h12-15,20-21,30-31H,1-5,10-11,16-19H2
InChIKey QHLZJEKPTQFJJI-UHFFFAOYSA-N
Molecular Weight 506.551 g/mol
SMILES Oc1c2C(OCCCCCCCCCOC(c3cc(ccc3O)OCC#CC#CCOc(cc1)c2)=O)=O
SPLASH splash10-0udi-0910110000-d503d1cff2602fd10828
Source of Spectrum C-111-3648-9
Wiley ID 1399868