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BOERHAVINONE-A
SpectraBase Compound ID ERSAIngLeDv
InChI InChI=1S/C18H14O6/c1-8-10(19)7-12-14(15(8)20)16(21)13-9-5-3-4-6-11(9)24-18(22-2)17(13)23-12/h3-7,18-20H,1-2H3
InChIKey TXTGITRXQUOAJM-UHFFFAOYSA-N
Mol Weight 326.3 g/mol
Molecular Formula C18H14O6
Exact Mass 326.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQvBuAjPePo
Name Diffusarotenoid [9,11-dihydroxy-10-methyl-6-methoxy-6a,12a-dehydrorotenoid]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O6
InChI InChI=1S/C18H14O6/c1-8-10(19)7-12-14(15(8)20)16(21)13-9-5-3-4-6-11(9)24-18(22-2)17(13)23-12/h3-7,18-20H,1-2H3
InChIKey TXTGITRXQUOAJM-UHFFFAOYSA-N
Molecular Weight 326.304 g/mol
SMILES Oc1cc2OC3=C(C(c2c(c1C)O)=O)c1c(OC3OC)cccc1
SPLASH splash10-03di-0029000000-62c1e647f3ad21accd26
Source of Spectrum Y1-37-916-4
Synonyms 9,11-dihydroxy-6-methoxy-10-methyl-6H-[1]benzopyrano[3,4-b][1]benzopyran-12-one 6-Methoxy-10-methyl-9,11-bis(oxidanyl)-6H-chromeno[3,4-b]chromen-12-one
Wiley ID 1527574