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6(2H)-Benzofuranone, 3,3a-dihydro-5-methoxy-3-methyl-3a-[3-[(methylsulfonyl)oxy]propyl]-2- (3,4,5-trimethoxyphenyl)-, (2.alpha.,3.alpha.,3a.beta.)-(.+-.)-
SpectraBase Compound ID DRKwBcLkK2e
InChI InChI=1S/C23H30O9S/c1-14-21(15-10-17(27-2)22(30-5)18(11-15)28-3)32-20-12-16(24)19(29-4)13-23(14,20)8-7-9-31-33(6,25)26/h10-14,21H,7-9H2,1-6H3/t14-,21-,23-/m0/s1
InChIKey DJDPAQURBMHKGY-BKAZIGDYSA-N
Mol Weight 482.54 g/mol
Molecular Formula C23H30O9S
Exact Mass 482.161054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PrRVDRgSjj
Name 6(2H)-Benzofuranone, 3,3a-dihydro-5-methoxy-3-methyl-3a-[3-[(methylsulfonyl)oxy]propyl]-2- (3,4,5-trimethoxyphenyl)-, (2.alpha.,3.alpha.,3a.beta.)-(.+-.)-
CAS Registry Number 78111-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O9S
InChI InChI=1S/C23H30O9S/c1-14-21(15-10-17(27-2)22(30-5)18(11-15)28-3)32-20-12-16(24)19(29-4)13-23(14,20)8-7-9-31-33(6,25)26/h10-14,21H,7-9H2,1-6H3/t14-,21-,23-/m0/s1
InChIKey DJDPAQURBMHKGY-BKAZIGDYSA-N
Molecular Weight 482.544 g/mol
SMILES C1=2[C@@](C=C(C(C2)=O)OC)([C@@](C)([C@](O1)(c1cc(OC)c(c(c1)OC)OC)[H])[H])CCCOS(=O)(=O)C
SPLASH splash10-056r-9070000000-c7204ecd954ef79ec33a
Source of Spectrum C-103-2720-0
Synonyms (2.beta.,3.beta.,3a.alpha.)-3,3a-dihydro-5-methoxy-3-methyl-3a-[3-[(methylsulfonyl)oxy]propyl]-2-(3,4,5-trimethoxyphenyl)-6(2H)-benzofuranone 3-((2S,3R,3aR)-5-methoxy-3-methyl-6-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-3a(6H)-yl)propyl methanesulfonate
Wiley ID 1395551