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Gomisin J, 2ac derivative

View entire compound with spectra: 1 NMR

Gomisin J, 2ac derivative
SpectraBase Compound ID I5zJ3upMaUi
InChI InChI=1S/C26H32O8/c1-13-9-17-11-19(33-15(3)27)23(29-5)25(31-7)21(17)22-18(10-14(13)2)12-20(34-16(4)28)24(30-6)26(22)32-8/h11-14H,9-10H2,1-8H3/t13-,14+
InChIKey IJEAGBUALMZJIN-OKILXGFUSA-N
Mol Weight 472.5 g/mol
Molecular Formula C26H32O8
Exact Mass 472.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28b971eD6mH
Name Gomisin J, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 472.209717982 u
Formula C26H32O8
InChI InChI=1S/C26H32O8/c1-13-9-17-11-19(33-15(3)27)23(29-5)25(31-7)21(17)22-18(10-14(13)2)12-20(34-16(4)28)24(30-6)26(22)32-8/h11-14H,9-10H2,1-8H3/t13-,14+
InChIKey IJEAGBUALMZJIN-OKILXGFUSA-N
Molecular Weight 472.534 g/mol
SMILES C12=C(C3=C(C[C@@]([C@@](C2)(C)[H])(C)[H])C=C(C(=C3OC)OC)OC(=O)C)C(=C(C(=C1)OC(=O)C)OC)OC