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2,9,16,27-Tetraoxatricyclo[27.3.1.110,14]tetratriaconta-1(33),10,12,14(34),29,31-hexaene-4,6-diyne-15,28-dione, 13,30-dihydroxy-
SpectraBase Compound ID 7J4xOjfqzQc
InChI InChI=1S/C30H32O8/c31-27-15-13-23-21-25(27)29(33)37-19-11-5-3-1-2-4-6-12-20-38-30(34)26-22-24(14-16-28(26)32)36-18-10-8-7-9-17-35-23/h13-16,21-22,31-32H,1-6,11-12,17-20H2
InChIKey PKMAHVYJXVZVFC-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C30H32O8
Exact Mass 520.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLJKl88fPsd
Name 2,9,16,27-Tetraoxatricyclo[27.3.1.110,14]tetratriaconta-1(33),10,12,14(34),29,31-hexaene-4,6-diyne-15,28-dione, 13,30-dihydroxy-
CAS Registry Number 120296-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O8
InChI InChI=1S/C30H32O8/c31-27-15-13-23-21-25(27)29(33)37-19-11-5-3-1-2-4-6-12-20-38-30(34)26-22-24(14-16-28(26)32)36-18-10-8-7-9-17-35-23/h13-16,21-22,31-32H,1-6,11-12,17-20H2
InChIKey PKMAHVYJXVZVFC-UHFFFAOYSA-N
Molecular Weight 520.578 g/mol
SMILES Oc1c2C(OCCCCCCCCCCOC(c3cc(ccc3O)OCC#CC#CCOc(cc1)c2)=O)=O
SPLASH splash10-0fe3-0930340000-c400d85f53930d45f847
Source of Spectrum C-111-3648-9
Synonyms 13,30-dihydroxy-2,9,16,27-tetraoxatricyclo[27.3.1.1(10,14)]tetratriaconta-1(33),10(34),11,13,29,31-hexaene-4,6-diyne-15,28-dione 2,13,21,28 -tetraoxa-1,14-dioxo[14,8]metacyclopha-23,25-diyne-16,32-diol
Wiley ID 1401981