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(4R,7E,9R,10S,15R,16S)-4,10,16-trimethyl-9,15-bis(oxidanyl)-1,5,11-trioxacyclohexadec-7-ene-2,6,12-trione
SpectraBase Compound ID CTCHjBoaTUL
InChI InChI=1S/C16H24O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4,6,9-13,17-18H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11+,12-,13-/m1/s1
InChIKey KIBZGGIVYAKKPJ-VGOUJBTESA-N
Mol Weight 344.36 g/mol
Molecular Formula C16H24O8
Exact Mass 344.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEKgmgQmn1c
Name (4R,7E,9R,10S,15R,16S)-4,10,16-Trimethyl-9,15-bis(oxidanyl)-1,5,11-trioxacyclohexadec-7-ene-2,6,12-trione
Comments Computed using HOSE algorithm
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Exact Mass 344.147117725 u
Formula C16H24O8
InChI InChI=1S/C16H24O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4,6,9-13,17-18H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11+,12-,13-/m1/s1
InChIKey KIBZGGIVYAKKPJ-VGOUJBTESA-N
Molecular Weight 344.360 g/mol
SMILES C1(O[C@]([C@@](CCC(O[C@]([C@@](\C=C\C(O[C@@](C1)(C)[H])=O)(O)[H])(C)[H])=O)(O)[H])(C)[H])=O