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Clausarin, acetate

View entire compound with spectra: 1 NMR

Clausarin, acetate
SpectraBase Compound ID FMtWN99lFzo
InChI InChI=1S/C26H30O5/c1-10-24(4,5)18-14-17-20(29-15(3)27)16-12-13-26(8,9)31-22(16)19(25(6,7)11-2)21(17)30-23(18)28/h10-14H,1-2H2,3-9H3
InChIKey ULVADVMZIRLFFW-UHFFFAOYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H30O5
Exact Mass 422.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRMgoffZNyU
Name Clausarin, acetate
Comments Computed using HOSE algorithm
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Exact Mass 422.209324061 u
Formula C26H30O5
InChI InChI=1S/C26H30O5/c1-10-24(4,5)18-14-17-20(29-15(3)27)16-12-13-26(8,9)31-22(16)19(25(6,7)11-2)21(17)30-23(18)28/h10-14H,1-2H2,3-9H3
InChIKey ULVADVMZIRLFFW-UHFFFAOYSA-N
Molecular Weight 422.521 g/mol
SMILES C(C=C)(C)(C)C=1C(OC2=C(C=3OC(C=CC3C(=C2C1)OC(=O)C)(C)C)C(C=C)(C)C)=O