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4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone
SpectraBase Compound ID 2Lp0M3w3NhG
InChI InChI=1S/C25H28O8S2/c1-28-19-9-14(10-20(29-2)23(19)30-3)22(26)21-16(12-31-24(21)27)25(34-7-4-8-35-25)15-5-6-17-18(11-15)33-13-32-17/h5-6,9-11,16,21-22,26H,4,7-8,12-13H2,1-3H3
InChIKey SCWJXLRIZVMXHM-UHFFFAOYSA-N
Mol Weight 520.61 g/mol
Molecular Formula C25H28O8S2
Exact Mass 520.12256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExDOYRsYhlh
Name 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone
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Formula C25H28O8S2
InChI InChI=1S/C25H28O8S2/c1-28-19-9-14(10-20(29-2)23(19)30-3)22(26)21-16(12-31-24(21)27)25(34-7-4-8-35-25)15-5-6-17-18(11-15)33-13-32-17/h5-6,9-11,16,21-22,26H,4,7-8,12-13H2,1-3H3
InChIKey SCWJXLRIZVMXHM-UHFFFAOYSA-N
Molecular Weight 520.611 g/mol
SMILES OC(c1cc(OC)c(c(c1)OC)OC)C1C(C2(c3cc4OCOc4cc3)SCCCS2)COC1=O
SPLASH splash10-0072-7239000000-e6551aecbcfe912e65cd
Source of Spectrum F-47-4680-10
Synonyms 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[oxidanyl-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Wiley ID 1401909