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2-(2'-Ethylprop-2'-enyl)-1-hydroxy-4-methoxy-3-(prop-1''-enyl)anthraquinone
SpectraBase Compound ID 4glHy1t2otG
InChI InChI=1S/C23H22O4/c1-5-9-16-17(12-13(3)6-2)22(26)18-19(23(16)27-4)21(25)15-11-8-7-10-14(15)20(18)24/h5,7-11,26H,3,6,12H2,1-2,4H3/b9-5+
InChIKey RUIRXXBYEGYSOQ-WEVVVXLNSA-N
Mol Weight 362.43 g/mol
Molecular Formula C23H22O4
Exact Mass 362.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39aX2lS7jBY
Name 2-(2'-Ethylprop-2'-enyl)-1-hydroxy-4-methoxy-3-(prop-1''-enyl)anthraquinone
Alternate Name(s) 2-(2-Ethyl-2-propenyl)-1-hydroxy-4-methoxy-3-[(1E)-1-propenyl]anthra-9,10-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O4
InChI InChI=1S/C23H22O4/c1-5-9-16-17(12-13(3)6-2)22(26)18-19(23(16)27-4)21(25)15-11-8-7-10-14(15)20(18)24/h5,7-11,26H,3,6,12H2,1-2,4H3/b9-5+
InChIKey RUIRXXBYEGYSOQ-WEVVVXLNSA-N
Molecular Weight 362.425 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)c(OC)c(c1CC(=C)CC)\C=C\C
SPLASH splash10-03di-0029000000-ce9618a8cd7764c66ccc
Source of Spectrum B-52-793-35
Wiley ID 746437