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Micromarin-B
SpectraBase Compound ID EAOxQJrChHq
InChI InChI=1S/C20H24O7/c1-11(2)9-16(22)26-10-12(3)18(23)19(24)17-14(25-4)7-5-13-6-8-15(21)27-20(13)17/h5-8,11,18-19,23-24H,3,9-10H2,1-2,4H3/t18-,19-/m0/s1
InChIKey RPWASDJXFDDBFQ-OALUTQOASA-N
Mol Weight 376.41 g/mol
Molecular Formula C20H24O7
Exact Mass 376.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ims5lsr5p9r
Name Micromarin-B
Alternate Name(s) 2-[(1S,2S)-1,2-dihydroxy-2-(7-methoxy-2-oxo-2H-chromen-8-yl)ethyl]-2-propenyl 3-methylbutanoate 3-Methylbutanoic acid [(3S,4S)-3,4-dihydroxy-4-(7-methoxy-2-oxo-1-benzopyran-8-yl)-2-methylenebutyl] ester [(3S,4S)-3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [(3S,4S)-3,4-dihydroxy-4-(7-methoxy-2-oxo-chromen-8-yl)-2-methylene-butyl] 3-methylbutanoate [(3S,4S)-4-(7-methoxy-2-oxidanylidene-chromen-8-yl)-2-methylidene-3,4-bis(oxidanyl)butyl] 3-methylbutanoate
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Formula C20H24O7
InChI InChI=1S/C20H24O7/c1-11(2)9-16(22)26-10-12(3)18(23)19(24)17-14(25-4)7-5-13-6-8-15(21)27-20(13)17/h5-8,11,18-19,23-24H,3,9-10H2,1-2,4H3/t18-,19-/m0/s1
InChIKey RPWASDJXFDDBFQ-OALUTQOASA-N
Molecular Weight 376.405 g/mol
SMILES O[C@]([C@](c1c2OC(=O)C=Cc2ccc1OC)(O)[H])(C(COC(=O)CC(C)C)=C)[H]
SPLASH splash10-0a4i-0190000000-5562b8cf3af1e0c7e740
Source of Spectrum E2-48-337-2
Wiley ID 1555117