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2.alpha.-Acetoxy-3-oxo-7.alpha.H,6,11.beta.H-eudesm-4-en-6,12-olide
SpectraBase Compound ID 5TOuQPopApg
InChI InChI=1S/C17H22O5/c1-8-11-5-6-17(4)7-12(21-10(3)18)14(19)9(2)13(17)15(11)22-16(8)20/h8,11-12,15H,5-7H2,1-4H3/t8-,11-,12+,15-,17-/m0/s1
InChIKey BNVNDKPUXDCZFD-XRFYLZGXSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1rlkHwVtiW9
Name 2.alpha.-Acetoxy-3-oxo-7.alpha.H,6,11.beta.H-eudesm-4-en-6,12-olide
Comments Computed using HOSE algorithm
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Exact Mass 306.146723803 u
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-8-11-5-6-17(4)7-12(21-10(3)18)14(19)9(2)13(17)15(11)22-16(8)20/h8,11-12,15H,5-7H2,1-4H3/t8-,11-,12+,15-,17-/m0/s1
InChIKey BNVNDKPUXDCZFD-XRFYLZGXSA-N
Molecular Weight 306.358 g/mol
SMILES C12=C(C(=O)[C@@](C[C@@]2(CC[C@@]2([C@@]1(OC(=O)[C@]2(C)[H])[H])[H])C)(OC(=O)C)[H])C