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Ochrindole D
SpectraBase Compound ID 400U5lixbUk
InChI InChI=1S/C27H22N2O3/c1-15(2)11-12-18-23(19-13-28-21-9-5-3-7-16(19)21)26(31)27(32)24(25(18)30)20-14-29-22-10-6-4-8-17(20)22/h3-11,13-14,28-29,32H,12H2,1-2H3
InChIKey JZRJQJYIPSFKHJ-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C27H22N2O3
Exact Mass 422.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H80xItt5p5o
Name Ochrindole D
Alternate Name(s) 2-Hydroxy-3,6-di(1H-indol-3-yl)-5-(3-methyl-2-butenyl)benzo-1,4-quinone 2-Hydroxy-5-(3'-methyl-2'-butenyl)-3,6-bis(3''-indolyl)-1,4-benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O3
InChI InChI=1S/C27H22N2O3/c1-15(2)11-12-18-23(19-13-28-21-9-5-3-7-16(19)21)26(31)27(32)24(25(18)30)20-14-29-22-10-6-4-8-17(20)22/h3-11,13-14,28-29,32H,12H2,1-2H3
InChIKey JZRJQJYIPSFKHJ-UHFFFAOYSA-N
Molecular Weight 422.484 g/mol
SMILES [nH]1c2c(c(C3=C(C(C(=C(C3=O)CC=C(C)C)c3c[nH]c4c3cccc4)=O)O)c1)cccc2
SPLASH splash10-0a4i-0510900000-dc5cc71f3b24c9c14613
Source of Spectrum X2-57-639-4
Wiley ID 1605397