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Aldehydo-marrubialactone
SpectraBase Compound ID 8HEgs1RwWAd
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-WPQIDAPSSA-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 15PLWsgkbaE
Name 1H-Naphtho[1,8a-c]furan-8-carboxaldehyde, 7-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-3,5,6,6a,7,8,9,10-octahydro- 7-methyl-3-oxo-, [6aR-(6a.alpha.,7.alpha.,8.beta.,10aR*)]-
Alternate Name(s) (7R,8R,10aR)-7-methyl-3-oxo-7-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-8-carbaldehyde Aldehydomarrubialactone
CAS Registry Number 67362-64-5
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-WPQIDAPSSA-N
Molecular Weight 344.407 g/mol
SMILES [C@@]123C(C(=O)OC3)=CCCC1[C@](CCC1=CC(=O)OC1)(C)[C@@](CC2)(C=O)[H]
SPLASH splash10-01ox-7529000000-9a3c923e66ddc7e60910
Source of Spectrum K-111-2141-0
Wiley ID 1337983