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(3R*,4S*,5R*)-3-Methyl-3-[3,4-(methylenedioxy)benzyl]-4-[[(methoxymethyl)oxy]methyl]-5-(3,4-dimethoxyphenyl]-.gamma.-butyrolactone
SpectraBase Compound ID 697kKRyEnrr
InChI InChI=1S/C24H28O8/c1-24(11-15-5-7-19-21(9-15)31-14-30-19)17(12-29-13-26-2)22(32-23(24)25)16-6-8-18(27-3)20(10-16)28-4/h5-10,17,22H,11-14H2,1-4H3/t17-,22-,24+/m0/s1
InChIKey BTYOREWYZUIQHG-OZWPHOJSSA-N
Mol Weight 444.48 g/mol
Molecular Formula C24H28O8
Exact Mass 444.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPZQooL2RAB
Name (3R*,4S*,5R*)-3-Methyl-3-[3,4-(methylenedioxy)benzyl]-4-[[(methoxymethyl)oxy]methyl]-5-(3,4-dimethoxyphenyl]-.gamma.-butyrolactone
Alternate Name(s) (3R,4S,5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)-4-(methoxymethoxymethyl)-3-methyl-2-oxolanone (3R,4S,5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)-4-(methoxymethoxymethyl)-3-methyloxolan-2-one (3R,4S,5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)-4-(methoxymethoxymethyl)-3-methyl-tetrahydrofuran-2-one (3R,4S,5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)-4-(methoxymethoxymethyl)-3-methyl-oxolan-2-one
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Formula C24H28O8
InChI InChI=1S/C24H28O8/c1-24(11-15-5-7-19-21(9-15)31-14-30-19)17(12-29-13-26-2)22(32-23(24)25)16-6-8-18(27-3)20(10-16)28-4/h5-10,17,22H,11-14H2,1-4H3/t17-,22-,24+/m0/s1
InChIKey BTYOREWYZUIQHG-OZWPHOJSSA-N
Molecular Weight 444.480 g/mol
SMILES [C@]1(C(O[C@]([C@@]1(COCOC)[H])(c1cc(OC)c(cc1)OC)[H])=O)(Cc1cc2OCOc2cc1)C
SPLASH splash10-000i-3900100000-784de5bc7d88f96bc7d8
Source of Spectrum J-61-6929-4
Wiley ID 1385985