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Lansiumarin-B [(E)-8-(7-hydroperoxy-3,7-dimethylocta-2,5-dienyloxy)psoralen]
SpectraBase Compound ID KspkQhbQaIX
InChI InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey NNZMYFZCHMIZMN-OVXNXNIRSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1JyqQtNxIz
Name Lansiumarin-B [(E)-8-(7-hydroperoxy-3,7-dimethylocta-2,5-dienyloxy)psoralen]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey NNZMYFZCHMIZMN-OVXNXNIRSA-N
Molecular Weight 370.401 g/mol
SMILES OOC(\C=C\C\C(=C\COc1c2OC(=O)C=Cc2cc2ccoc12)C)(C)C
SPLASH splash10-0uk9-0940000000-e09353dbce2a21f7aecb
Source of Spectrum E1-46-342-2
Synonyms 9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]-7-furo[3,2-g][1]benzopyranone 9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one 9-[(2E,5E)-7-(dioxidanyl)-3,7-dimethyl-octa-2,5-dienoxy]furo[3,2-g]chromen-7-one
Wiley ID 1554167