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Marrubialactone-aldehyde
SpectraBase Compound ID Hc4X59I33GQ
InChI InChI=1S/C20H24O5/c1-19(7-5-13-9-17(22)24-11-13)14(10-21)6-8-20-12-25-18(23)15(20)3-2-4-16(19)20/h3,9-10,14,16H,2,4-8,11-12H2,1H3/t14-,16+,19-,20-/m0/s1
InChIKey CNAFIVGLVGXYEW-ZXUOCUECSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYCty1m6rxz
Name Marrubialactone-aldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-19(7-5-13-9-17(22)24-11-13)14(10-21)6-8-20-12-25-18(23)15(20)3-2-4-16(19)20/h3,9-10,14,16H,2,4-8,11-12H2,1H3/t14-,16+,19-,20-/m0/s1
InChIKey CNAFIVGLVGXYEW-ZXUOCUECSA-N
Literature Reference DOI 10.1002/cber.19781110610
Molecular Weight 344.407 g/mol
SMILES C1C[C@]2([C@@]3(C(=C1)C(OC3)=O)CC[C@]([C@@]2(CCC=1COC(C1)=O)C)(C=O)[H])[H]
SPLASH splash10-06r7-7937000000-bc57d6145e3651d5bf87
Source of Spectrum K-111-2141-2141_3
Synonyms (6aR,7R,8R,10aR)-7-methyl-3-oxo-7-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3,5,6,6a,7,8,9,10-octahydro-1H-naphtho[1,8a-c]furan-8-carbaldehyde
Wiley ID 1794264