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Hydroxypestalotin, 2ac derivative

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Hydroxypestalotin, 2ac derivative
SpectraBase Compound ID HTegqppE3hL
InChI InChI=1S/C15H22O7/c1-5-6-12(20-9(2)16)15(21-10(3)17)13-7-11(19-4)8-14(18)22-13/h8,12-13,15H,5-7H2,1-4H3/t12-,13-,15+/m1/s1
InChIKey SPJFOJIDOWRRRM-NFAWXSAZSA-N
Mol Weight 314.33 g/mol
Molecular Formula C15H22O7
Exact Mass 314.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CurSjs2Wbn1
Name Hydroxypestalotin, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 314.136553041 u
Formula C15H22O7
InChI InChI=1S/C15H22O7/c1-5-6-12(20-9(2)16)15(21-10(3)17)13-7-11(19-4)8-14(18)22-13/h8,12-13,15H,5-7H2,1-4H3/t12-,13-,15+/m1/s1
InChIKey SPJFOJIDOWRRRM-NFAWXSAZSA-N
Molecular Weight 314.334 g/mol
SMILES [C@]([C@@](CCC)(OC(=O)C)[H])(OC(=O)C)([C@]1(CC(OC)=CC(=O)O1)[H])[H]