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(-)-2,3-CIS-2-ACETOXYMETHYL-3-[(5'-METHOXY-3',4'-METHYLENEDIOXYPHENYL)-(4''-HYDROXY-3'',5''-DIMETHOXYPHENYL)-METHYL]-BUTYROLACTONE
SpectraBase Compound ID EvMXlKKwR8K
InChI InChI=1S/C24H26O10/c1-12(25)31-10-16-15(9-32-24(16)27)21(13-5-17(28-2)22(26)18(6-13)29-3)14-7-19(30-4)23-20(8-14)33-11-34-23/h5-8,15-16,21,26H,9-11H2,1-4H3/t15-,16-,21?/m1/s1
InChIKey KERKFCAENSLKLT-BLRYKZMTSA-N
Mol Weight 474.46 g/mol
Molecular Formula C24H26O10
Exact Mass 474.152597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4udUF4Qmz8w
Name (2,3-cis)-2-(Acetoxymethyl)-3-[(5'-methoxy-3',4'-methylenedioxyphenyl)(4"-hydroxy-3",5"-dimethoxyphenyl)methyl]-butyrolactone
Alternate Name(s) acetic acid [(3S,4S)-4-[(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-oxolanyl]methyl ester [(3S,4S)-4-[(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxooxolan-3-yl]methyl acetate [(3S,4S)-4-[(4-hydroxy-3,5-dimethoxy-phenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxo-tetrahydrofuran-3-yl]methyl acetate [(3S,4S)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxidanylidene-oxolan-3-yl]methyl ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C24H26O10
InChI InChI=1S/C24H26O10/c1-12(25)31-10-16-15(9-32-24(16)27)21(13-5-17(28-2)22(26)18(6-13)29-3)14-7-19(30-4)23-20(8-14)33-11-34-23/h5-8,15-16,21,26H,9-11H2,1-4H3/t15-,16-,21?/m1/s1
InChIKey KERKFCAENSLKLT-BLRYKZMTSA-N
Molecular Weight 474.462 g/mol
SMILES Oc1c(cc(C(c2cc3c(OCO3)c(c2)OC)[C@]2([C@](C(OC2)=O)(COC(=O)C)[H])[H])cc1OC)OC
SPLASH splash10-014i-0009100000-ccbf900261029a292c2f
Source of Spectrum G4-69-794-6
Wiley ID 1694327