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6-o-Isobutyrylbritannilactone, acetate

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

6-o-Isobutyrylbritannilactone, acetate
SpectraBase Compound ID 1UJ9MGwd9lj
InChI InChI=1S/C21H30O6/c1-11(2)20(23)27-19-17(12(3)8-7-9-25-15(6)22)13(4)10-16-18(19)14(5)21(24)26-16/h11-12,16,18-19H,5,7-10H2,1-4,6H3/t12-,16+,18+,19+/m0/s1
InChIKey XHBHYMSLBWDFRZ-ZLKDORHNSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyMzQo26X7p
Name 6-o-Isobutyrylbritannilactone, acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.204238680 u
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-11(2)20(23)27-19-17(12(3)8-7-9-25-15(6)22)13(4)10-16-18(19)14(5)21(24)26-16/h11-12,16,18-19H,5,7-10H2,1-4,6H3/t12-,16+,18+,19+/m0/s1
InChIKey XHBHYMSLBWDFRZ-ZLKDORHNSA-N
Molecular Weight 378.465 g/mol
SMILES [C@]12([C@]([C@@](C(=C(C2)C)[C@](CCCOC(=O)C)(C)[H])(OC(C(C)C)=O)[H])(C(=C)C(O1)=O)[H])[H]