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2,7-Dihydroxy-1,3,6,8-tetrabenzyloxy-9-isopropyl-9H-xanthene
SpectraBase Compound ID 7ulKkAgZJE0
InChI InChI=1S/C44H40O7/c1-29(2)38-39-34(23-36(47-25-30-15-7-3-8-16-30)41(45)43(39)49-27-32-19-11-5-12-20-32)51-35-24-37(48-26-31-17-9-4-10-18-31)42(46)44(40(35)38)50-28-33-21-13-6-14-22-33/h3-24,29,38,45-46H,25-28H2,1-2H3
InChIKey LQXRAJFVCSVQMC-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C44H40O7
Exact Mass 680.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVV5rx6ftrB
Name 2,7-Dihydroxy-1,3,6,8-tetrabenzyloxy-9-isopropyl-9H-xanthene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H40O7
InChI InChI=1S/C44H40O7/c1-29(2)38-39-34(23-36(47-25-30-15-7-3-8-16-30)41(45)43(39)49-27-32-19-11-5-12-20-32)51-35-24-37(48-26-31-17-9-4-10-18-31)42(46)44(40(35)38)50-28-33-21-13-6-14-22-33/h3-24,29,38,45-46H,25-28H2,1-2H3
InChIKey LQXRAJFVCSVQMC-UHFFFAOYSA-N
Molecular Weight 680.797 g/mol
SMILES Oc1c(c2C(c3c(c(c(cc3Oc2cc1OCc1ccccc1)OCc1ccccc1)O)OCc1ccccc1)C(C)C)OCc1ccccc1
SPLASH splash10-0006-9000001000-0764429c4cde3e1b34d4
Source of Spectrum SO-0-694-12
Synonyms 1,3,6,8-tetrakis(benzyloxy)-9-isopropyl-9H-xanthene-2,7-diol
Wiley ID 873020