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ACETYLMAGNOVATIN_A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

ACETYLMAGNOVATIN_A
SpectraBase Compound ID K5idaqb7o9J
InChI InChI=1S/C22H24O6/c1-13(8-16-4-6-18-20(9-16)26-11-24-18)14(2)22(28-15(3)23)17-5-7-19-21(10-17)27-12-25-19/h4-7,9-10,13-14,22H,8,11-12H2,1-3H3/t13-,14-,22+/m1/s1
InChIKey JGKHKCJSHZISNL-SOHPYSCWSA-N
Mol Weight 384.43 g/mol
Molecular Formula C22H24O6
Exact Mass 384.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2Ek48nIkfO
Name (7S,8R,8'R)-3,4 : 3',4'-bis(Methylenedioxy)-7-acetoxy-lignan
Alternate Name(s) Acetyl-magnovatin A Acetic acid [(1S,2R,3R)-1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl] ester [(1S,2R,3R)-1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl] acetate [(1S,2R,3R)-1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl] acetate [(1S,2R,3R)-1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl] ethanoate
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Formula C22H24O6
InChI InChI=1S/C22H24O6/c1-13(8-16-4-6-18-20(9-16)26-11-24-18)14(2)22(28-15(3)23)17-5-7-19-21(10-17)27-12-25-19/h4-7,9-10,13-14,22H,8,11-12H2,1-3H3/t13-,14-,22+/m1/s1
InChIKey JGKHKCJSHZISNL-SOHPYSCWSA-N
Molecular Weight 384.428 g/mol
SMILES [C@](c1cc2c(OCO2)cc1)([C@@]([C@@](Cc1cc2OCOc2cc1)(C)[H])(C)[H])(OC(=O)C)[H]
SPLASH splash10-03dr-1911000000-2f09c6d2274e39591da2
Source of Spectrum G4-72-1531-1a
Wiley ID 1702205