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6-o-Isobutyrylbritannilactone

View entire compound with spectra: 1 NMR

6-o-Isobutyrylbritannilactone
SpectraBase Compound ID 6zHIt360ECX
InChI InChI=1S/C19H28O5/c1-10(2)18(21)24-17-15(11(3)7-6-8-20)12(4)9-14-16(17)13(5)19(22)23-14/h10-11,14,16-17,20H,5-9H2,1-4H3/t11-,14+,16+,17+/m0/s1
InChIKey RIFCMNAQMNUNKD-ASTDHERZSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ap0TxE6pc4G
Name 6-o-Isobutyrylbritannilactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.193673997 u
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-10(2)18(21)24-17-15(11(3)7-6-8-20)12(4)9-14-16(17)13(5)19(22)23-14/h10-11,14,16-17,20H,5-9H2,1-4H3/t11-,14+,16+,17+/m0/s1
InChIKey RIFCMNAQMNUNKD-ASTDHERZSA-N
Molecular Weight 336.428 g/mol
SMILES [C@]12([C@]([C@@](C(=C(C2)C)[C@](CCCO)(C)[H])(OC(C(C)C)=O)[H])(C(=C)C(O1)=O)[H])[H]