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SCANDENONE;WARANGALONE
SpectraBase Compound ID LKIg88GVJGm
InChI InChI=1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3
InChIKey HGHOPAZIUPORIN-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C25H24O5
Exact Mass 404.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjXaCfvmH2V
Name Warangalone
CAS Registry Number 4449-55-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O5
InChI InChI=1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3
InChIKey HGHOPAZIUPORIN-UHFFFAOYSA-N
Molecular Weight 404.462 g/mol
SMILES Oc1c2C(C(c3ccc(cc3)O)=COc2c(c2c1C=CC(O2)(C)C)CC=C(C)C)=O
SPLASH splash10-0f79-0009400000-960c0b77f7a6229e0165
Source of Spectrum Y-2-268-2
Synonyms 5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-g]chromen-6-one Scandenolone Scandenone Warangalon 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(p-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)- 7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-5-oxidanyl-pyrano[3,2-g]chromen-6-one
Wiley ID 1371464