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Citrusin D, 5me derivative

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

Citrusin D, 5me derivative
SpectraBase Compound ID J6CpdsMntuw
InChI InChI=1S/C21H32O8/c1-22-13-17-18(25-4)19(26-5)20(27-6)21(29-17)28-11-7-8-14-9-10-15(23-2)16(12-14)24-3/h7-10,12,17-21H,11,13H2,1-6H3/b8-7+/t17-,18-,19+,20-,21-/m1/s1
InChIKey ANKCEWPSSFSKTR-WOUKMDQJSA-N
Mol Weight 412.5 g/mol
Molecular Formula C21H32O8
Exact Mass 412.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EG6Wtplbwfd
Name Citrusin D, 5me derivative
Comments Computed using HOSE algorithm
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Exact Mass 412.209717982 u
Formula C21H32O8
InChI InChI=1S/C21H32O8/c1-22-13-17-18(25-4)19(26-5)20(27-6)21(29-17)28-11-7-8-14-9-10-15(23-2)16(12-14)24-3/h7-10,12,17-21H,11,13H2,1-6H3/b8-7+/t17-,18-,19+,20-,21-/m1/s1
InChIKey ANKCEWPSSFSKTR-WOUKMDQJSA-N
Molecular Weight 412.479 g/mol
SMILES C1(=C(C=CC(=C1)\C=C\CO[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@@](COC)(O1)[H])[H])[H])[H])[H])OC)OC