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(2S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(1R,5S)-4-keto-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-5-carbonyl]-2H-pyridine-5-carboxylic acid methyl ester
SpectraBase Compound ID GFoUvEiIObS
InChI InChI=1S/C23H31NO7/c1-21(2)22(3)9-10-23(21,20(27)31-14-22)19(26)24-13-15(18(25)28-4)5-6-16(24)7-8-17-29-11-12-30-17/h5-6,13,16-17H,7-12,14H2,1-4H3/t16-,22+,23+/m1/s1
InChIKey AOFDHBLBIIDZSW-XARZLDAJSA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H31NO7
Exact Mass 433.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbhK9jWcNEu
Name (2S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(1R,5S)-4-keto-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-5-carbonyl]-2H-pyridine-5-carboxylic acid methyl ester
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Formula C23H31NO7
InChI InChI=1S/C23H31NO7/c1-21(2)22(3)9-10-23(21,20(27)31-14-22)19(26)24-13-15(18(25)28-4)5-6-16(24)7-8-17-29-11-12-30-17/h5-6,13,16-17H,7-12,14H2,1-4H3/t16-,22+,23+/m1/s1
InChIKey AOFDHBLBIIDZSW-XARZLDAJSA-N
Molecular Weight 433.501 g/mol
SMILES C1=C(C=C[C@@](N1C(=O)[C@@]12C(OC[C@](CC2)(C1(C)C)C)=O)(CCC1OCCO1)[H])C(=O)OC
SPLASH splash10-0002-0901000000-6bd35e3d6a3d93accd62
Source of Spectrum KC-60-312-17
Synonyms (2S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-1-[oxo-[(1R,5S)-1,8,8-trimethyl-4-oxo-3-oxabicyclo[3.2.1]octan-5-yl]methyl]-2H-pyridine-5-carboxylic acid methyl ester Methyl (2S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(1R,5S)-1,8,8-trimethyl-4-oxo-3-oxabicyclo[3.2.1]octane-5-carbonyl]-2H-pyridine-5-carboxylate Methyl (2S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-1-[[(1R,5S)-1,8,8-trimethyl-4-oxidanylidene-3-oxabicyclo[3.2.1]octan-5-yl]carbonyl]-2H-pyridine-5-carboxylate
Wiley ID 1582851