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Hispiduloside, 6me derivative

View entire compound with spectra: 1 NMR

Hispiduloside, 6me derivative
SpectraBase Compound ID 3hdRcZmfMkr
InChI InChI=1S/C28H34O11/c1-30-14-21-24(33-4)26(35-6)27(36-7)28(39-21)38-20-13-19-22(25(34-5)23(20)32-3)17(29)12-18(37-19)15-8-10-16(31-2)11-9-15/h8-13,21,24,26-28H,14H2,1-7H3/t21-,24-,26+,27-,28-/m1/s1
InChIKey XISZMNVHOAROND-XHRNDARMSA-N
Mol Weight 546.6 g/mol
Molecular Formula C28H34O11
Exact Mass 546.210112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38ary98LS9j
Name Hispiduloside, 6me derivative
Comments Computed using HOSE algorithm
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Exact Mass 546.210111904 u
Formula C28H34O11
InChI InChI=1S/C28H34O11/c1-30-14-21-24(33-4)26(35-6)27(36-7)28(39-21)38-20-13-19-22(25(34-5)23(20)32-3)17(29)12-18(37-19)15-8-10-16(31-2)11-9-15/h8-13,21,24,26-28H,14H2,1-7H3/t21-,24-,26+,27-,28-/m1/s1
InChIKey XISZMNVHOAROND-XHRNDARMSA-N
Molecular Weight 546.569 g/mol
SMILES C1(=CC(=O)C2=C(OC)C(=C(C=C2O1)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])OC)C1=CC=C(OC)C=C1