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Cyathiformine-B, triacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

Cyathiformine-B, triacetate
SpectraBase Compound ID 8QgGDZJh8z1
InChI InChI=1S/C18H22O11/c1-8(17(22)24-5)26-13-7-12(18(23)25-6)14(27-9(2)19)16(29-11(4)21)15(13)28-10(3)20/h7,13-16H,1H2,2-6H3/t13-,14+,15+,16-/m1/s1
InChIKey BGGBHPIRWCHCIF-FXUDXRNXSA-N
Mol Weight 414.36 g/mol
Molecular Formula C18H22O11
Exact Mass 414.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sTYUVLsfOg
Name Cyathiformine-B, triacetate
Comments Computed using HOSE algorithm
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Exact Mass 414.116211517 u
Formula C18H22O11
InChI InChI=1S/C18H22O11/c1-8(17(22)24-5)26-13-7-12(18(23)25-6)14(27-9(2)19)16(29-11(4)21)15(13)28-10(3)20/h7,13-16H,1H2,2-6H3/t13-,14+,15+,16-/m1/s1
InChIKey BGGBHPIRWCHCIF-FXUDXRNXSA-N
Molecular Weight 414.363 g/mol
SMILES [C@]1(OC(C(=O)OC)=C)(C=C(C(OC)=O)[C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]