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3-Benzoyloxy-5,7,12,14-tetrahydroxy-6,13-dioxopentacene
SpectraBase Compound ID 5tS5ree1LhQ
InChI InChI=1S/C29H16O8/c30-23-15-8-4-5-9-16(15)24(31)20-19(23)27(34)21-22(28(20)35)26(33)18-12-14(10-11-17(18)25(21)32)37-29(36)13-6-2-1-3-7-13/h1-12,30-33H
InChIKey AQFSWAFBSCHZCX-UHFFFAOYSA-N
Mol Weight 492.44 g/mol
Molecular Formula C29H16O8
Exact Mass 492.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18B6sr5WIj1
Name 3-Benzoyloxy-5,7,12,14-tetrahydroxy-6,13-dioxopentacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H16O8
InChI InChI=1S/C29H16O8/c30-23-15-8-4-5-9-16(15)24(31)20-19(23)27(34)21-22(28(20)35)26(33)18-12-14(10-11-17(18)25(21)32)37-29(36)13-6-2-1-3-7-13/h1-12,30-33H
InChIKey AQFSWAFBSCHZCX-UHFFFAOYSA-N
Molecular Weight 492.439 g/mol
SMILES Oc1c2c(c(c3c1C(c1c(c(c4c(c1O)ccc(c4)OC(=O)c1ccccc1)O)C3=O)=O)O)cccc2
SPLASH splash10-006y-0009600000-c7a8b8c11562a31d73ad
Source of Spectrum IC-1226-0-0
Synonyms 3-Benzoxy-5,7,12,14-tetrahydroxy-6,13-dioxopentacene 5,7,12,14-tetrahydroxy-6,13-dioxo-6,13-dihydro-2-pentacenyl benzoate
Wiley ID 1397601