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2',3',4'-tris(acetoxy)-frangulin

View entire compound with spectra: 1 MS (GC)

2',3',4'-tris(acetoxy)-frangulin
SpectraBase Compound ID Fd5j9y3lXsq
InChI InChI=1S/C27H26O12/c1-10-6-16-20(18(31)7-10)23(34)21-17(22(16)33)8-15(9-19(21)32)39-27-26(38-14(5)30)25(37-13(4)29)24(11(2)35-27)36-12(3)28/h6-9,11,24-27,31-32H,1-5H3/t11-,24?,25+,26?,27+/m0/s1
InChIKey FWQQWZOVGRPZKA-XAFNICHQSA-N
Mol Weight 542.49 g/mol
Molecular Formula C27H26O12
Exact Mass 542.142426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EShrQ5aUBJR
Name 2',3',4'-tris(acetoxy)-frangulin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O12
InChI InChI=1S/C27H26O12/c1-10-6-16-20(18(31)7-10)23(34)21-17(22(16)33)8-15(9-19(21)32)39-27-26(38-14(5)30)25(37-13(4)29)24(11(2)35-27)36-12(3)28/h6-9,11,24-27,31-32H,1-5H3/t11-,24?,25+,26?,27+/m0/s1
InChIKey FWQQWZOVGRPZKA-XAFNICHQSA-N
Molecular Weight 542.493 g/mol
SMILES Oc1c2c(C(c3c(c(cc(c3)C)O)C2=O)=O)cc(c1)O[C@@]1(C([C@@](C(OC(=O)C)[C@@](O1)(C)[H])(OC(=O)C)[H])OC(=O)C)[H]
SPLASH splash10-006x-0090010000-1102237c5de15d4d2eb7
Source of Spectrum G4-64-1167-12
Wiley ID 1609164