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6(2H)-Benzofuranone, 3,3a,4,5-tetrahydro-5-methoxy-3-methyl-3a-[3-[(methylsulfonyl)oxy]pro pyl]-2-(3,4,5-trimethoxyphenyl)-, (2.alpha.,3.alpha.,3a.beta.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 8WKfqDjwSra
InChI InChI=1S/C23H32O9S/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/h10-12,14,19,21H,7-9,13H2,1-6H3/t14-,19-,21-,23+/m0/s1
InChIKey SFPGBWYVLYWTCA-ZECXDGGRSA-N
Mol Weight 484.6 g/mol
Molecular Formula C23H32O9S
Exact Mass 484.176704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXwj1d3uuup
Name 6(2H)-Benzofuranone, 3,3a,4,5-tetrahydro-5-methoxy-3-methyl-3a-[3-[(methylsulfonyl)oxy]pro pyl]-2-(3,4,5-trimethoxyphenyl)-, (2.alpha.,3.alpha.,3a.beta.,5.alpha.)-(.+-.)-
Alternate Name(s) (2.beta.,3.beta.,3a.alpha.,5.beta.)-3,3a,4,5-tetrahydro-5-methoxy-3-methyl-3a-[(methylsulfonyl)oxy]propyl]-2-(3,4,5-trimethoxyphenyl)-6(2H)-benzofuranone 3-((2S,3R,3aR,5S)-5-methoxy-3-methyl-6-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-1-benzofuran-3a(4H)-yl)propyl methanesulfonate
CAS Registry Number 78108-40-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O9S
InChI InChI=1S/C23H32O9S/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/h10-12,14,19,21H,7-9,13H2,1-6H3/t14-,19-,21-,23+/m0/s1
InChIKey SFPGBWYVLYWTCA-ZECXDGGRSA-N
Molecular Weight 484.560 g/mol
SMILES C=12[C@@]([C@](C)([H])[C@](O2)(c2cc(OC)c(c(c2)OC)OC)[H])(C[C@@](C(C1)=O)(OC)[H])CCCOS(=O)(=O)C
SPLASH splash10-00b9-9040300000-15e767dccb4290328a0e
Source of Spectrum C-103-2721-0
Wiley ID 1395948