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ATROCHRYSONE
SpectraBase Compound ID 5SvCBLXG0ja
InChI InChI=1S/C15H14O5/c1-15(20)5-8-2-7-3-9(16)4-10(17)12(7)14(19)13(8)11(18)6-15/h2-4,16-17,19-20H,5-6H2,1H3/t15-/m0/s1
InChIKey FELQSDLZFDTZJN-HNNXBMFYSA-N
Mol Weight 274.27 g/mol
Molecular Formula C15H14O5
Exact Mass 274.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuhrnG70WdA
Name (S)-atrochrysone
Appearance Green-yellow needles
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.084123546 u
Formula C15H14O5
InChI InChI=1S/C15H14O5/c1-15(20)5-8-2-7-3-9(16)4-10(17)12(7)14(19)13(8)11(18)6-15/h2-4,16-17,19-20H,5-6H2,1H3/t15-/m0/s1
InChIKey FELQSDLZFDTZJN-HNNXBMFYSA-N
Instrument Name VG Micromass 7070F and JEOL JMS-AX505HF
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.712
Optical Rotation [a]30.5 = +6.5 (c = 0.8, MeOH)
Quality 258
SMILES OC1=CC2=C(C(=C1)O)C(=C1C(C[C@@](CC1=C2)(C)O)=O)O
SPLASH splash10-05fr-0090000000-1641a65a62eac1e99031
Source of Spectrum ARK-2001-154-8 (DOI: 10.3998/ark.5550190.0002.712)
Thin-Layer Chromatography 0.24
Wiley ID 1908848