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LANSIUMARIN-A
SpectraBase Compound ID HoIshkuSE4s
InChI InChI=1S/C21H20O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+
InChIKey XWVDCVZOOVTJKF-RIYZIHGNSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jEWbiPHYe
Name Lansiumarin-A [(E,E)-8-(7-oxo-3,7-dimethylocta-2,7-dienyloxy)psoralen]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+
InChIKey XWVDCVZOOVTJKF-RIYZIHGNSA-N
Molecular Weight 352.386 g/mol
SMILES c12c(c3occc3cc2C=CC(O1)=O)OC\C=C\(CCC(C(=C)C)=O)C
SPLASH splash10-0udi-0940000000-97b1097daee855b88335
Source of Spectrum E1-46-342-1
Synonyms 9-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]-7-furo[3,2-g][1]benzopyranone 9-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]furo[3,2-g]chromen-7-one 9-[(2E)-3,7-dimethyl-6-oxo-octa-2,7-dienoxy]furo[3,2-g]chromen-7-one 9-[(2E)-3,7-dimethyl-6-oxidanylidene-octa-2,7-dienoxy]furo[3,2-g]chromen-7-one
Wiley ID 1554168