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Acumitin [1,3-Dihydroxy-2-[(2-hydroxyphenyl)methyl]-9H-xanthen-9-one-4-yl]-3-phenyl-1-propanone]
SpectraBase Compound ID InEZqLsKdKg
InChI InChI=1S/C29H22O6/c30-21-12-6-4-10-18(21)16-20-27(33)24(22(31)15-14-17-8-2-1-3-9-17)29-25(28(20)34)26(32)19-11-5-7-13-23(19)35-29/h1-13,30,33-34H,14-16H2
InChIKey NIFSYUFGZVWGGD-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C29H22O6
Exact Mass 466.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5Ec7Pu2GgE
Name Acumitin [1,3-Dihydroxy-2-[(2-hydroxyphenyl)methyl]-9H-xanthen-9-one-4-yl]-3-phenyl-1-propanone]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22O6
InChI InChI=1S/C29H22O6/c30-21-12-6-4-10-18(21)16-20-27(33)24(22(31)15-14-17-8-2-1-3-9-17)29-25(28(20)34)26(32)19-11-5-7-13-23(19)35-29/h1-13,30,33-34H,14-16H2
InChIKey NIFSYUFGZVWGGD-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES Oc1c(c(c2c(c1C(=O)CCc1ccccc1)Oc1ccccc1C2=O)O)Cc1c(O)cccc1
SPLASH splash10-014i-1091400000-34c84b1db6d01cad8a01
Source of Spectrum E2-52-140-2
Synonyms 1,3-Dihydroxy-2-[(2-hydroxyphenyl)methyl]-4-(1-oxo-3-phenylpropyl)-9-xanthenone 1,3-Dihydroxy-2-[(2-hydroxyphenyl)methyl]-4-(3-phenylpropanoyl)xanthen-9-one 2-[(2-hydroxyphenyl)methyl]-1,3-bis(oxidanyl)-4-(3-phenylpropanoyl)xanthen-9-one
Wiley ID 1556382