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2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(5),1(6),6(4),6(5)-tetraol
SpectraBase Compound ID JTTNSjWYgr8
InChI InChI=1S/C28H24O6/c29-23-13-10-20-9-6-17-7-11-21(12-8-17)33-25-16-19(15-24(30)26(25)31)5-4-18-2-1-3-22(14-18)34-28(20)27(23)32/h1-3,7-8,10-16,29-32H,4-6,9H2
InChIKey NCHXANMHUQGJGW-UHFFFAOYSA-N
Mol Weight 456.49 g/mol
Molecular Formula C28H24O6
Exact Mass 456.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Kap9WIUKi8
Name 2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(5),1(6),6(4),6(5)-tetraol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O6
InChI InChI=1S/C28H24O6/c29-23-13-10-20-9-6-17-7-11-21(12-8-17)33-25-16-19(15-24(30)26(25)31)5-4-18-2-1-3-22(14-18)34-28(20)27(23)32/h1-3,7-8,10-16,29-32H,4-6,9H2
InChIKey NCHXANMHUQGJGW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2972
Molecular Weight 456.494 g/mol
SMILES Oc1ccc2c(Oc3cc(CCc4cc(c(c(c4)O)O)Oc4ccc(CC2)cc4)ccc3)c1O
SPLASH splash10-0a6r-0070900000-afb1daeb5cb14ff14e0b
Source of Spectrum RCM-21-1372-7
Synonyms 2,15-Dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10,12,14(29),16,18,20,24,27-dodecaene-4,5,17,18-tetrol
Wiley ID 1820625