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(2S,4R)-2-(1(S)-Acetoxyheptyl)-4,6-diacetoxyoctahydrobenzopyran-5-one
SpectraBase Compound ID LrzqncCtY2c
InChI InChI=1S/C22H32O8/c1-5-6-7-8-9-16(27-13(2)23)19-12-20(29-15(4)25)21-17(30-19)10-11-18(22(21)26)28-14(3)24/h16,18-20H,5-12H2,1-4H3/t16-,18?,19-,20+/m0/s1
InChIKey CZXAQIARDSUIOK-OHSMVPPVSA-N
Mol Weight 424.5 g/mol
Molecular Formula C22H32O8
Exact Mass 424.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KggcgXun37R
Name (2S,4R)-2-(1(S)-Acetoxyheptyl)-4,6-diacetoxyoctahydrobenzopyran-5-one
Alternate Name(s) (2S,4R)-2-(1(S)-Acetoxyheptyl)-4,6-diacetoxy-2,3,4,6,7,8-hexahydro-benzopyran-5-one (2S,4R)-4-(acetyloxy)-2-[(1S)-1-(acetyloxy)heptyl]-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-6-yl acetate 2-(1-Acetoxyheptyl)-4,6-diacetoxy-2,3,4,6,7,8-hexahydro-benzopyran-5-one 2-(1-Acetoxyheptyl)-4,6-diacetoxyoctahydrobenzopyran-5-one
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Formula C22H32O8
InChI InChI=1S/C22H32O8/c1-5-6-7-8-9-16(27-13(2)23)19-12-20(29-15(4)25)21-17(30-19)10-11-18(22(21)26)28-14(3)24/h16,18-20H,5-12H2,1-4H3/t16-,18?,19-,20+/m0/s1
InChIKey CZXAQIARDSUIOK-OHSMVPPVSA-N
Molecular Weight 424.490 g/mol
SMILES C12=C(O[C@@](C[C@]2(OC(=O)C)[H])([C@@](OC(=O)C)(CCCCCC)[H])[H])CCC(C1=O)OC(=O)C
SPLASH splash10-01ox-9154000000-1de4777482daf252a0b5
Source of Spectrum SO-0-125-23
Wiley ID 864040