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Glabrol acetate

View entire compound with spectra: 1 NMR

Glabrol acetate
SpectraBase Compound ID J3e5Fw8HLLZ
InChI InChI=1S/C29H32O6/c1-17(2)7-9-21-15-22(10-13-26(21)33-19(5)30)28-16-25(32)23-12-14-27(34-20(6)31)24(29(23)35-28)11-8-18(3)4/h7-8,10,12-15,28H,9,11,16H2,1-6H3/t28-/m0/s1
InChIKey HGWPIYIAVKPMGU-NDEPHWFRSA-N
Mol Weight 476.6 g/mol
Molecular Formula C29H32O6
Exact Mass 476.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LcOV7EgUhS
Name Glabrol acetate
Comments Computed using HOSE algorithm
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Exact Mass 476.219888744 u
Formula C29H32O6
InChI InChI=1S/C29H32O6/c1-17(2)7-9-21-15-22(10-13-26(21)33-19(5)30)28-16-25(32)23-12-14-27(34-20(6)31)24(29(23)35-28)11-8-18(3)4/h7-8,10,12-15,28H,9,11,16H2,1-6H3/t28-/m0/s1
InChIKey HGWPIYIAVKPMGU-NDEPHWFRSA-N
Molecular Weight 476.569 g/mol
SMILES CC(=O)OC1=CC=C2C(=O)C[C@@](C3=CC=C(OC(C)=O)C(CC=C(C)C)=C3)(OC2=C1CC=C(C)C)[H]