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[(2R,3S,4R,4aR,4bS,8aS,9aS)-3,4-diacetoxy-7-iodo-spiro[2,3,4,4a,4b,8,8a,9a-octahydropyrano[2,3-b]benzofuran-5,1'-cyclohexane]-2-yl]methyl acetate
SpectraBase Compound ID E3Fmk9jRPor
InChI InChI=1S/C23H31IO8/c1-12(25)28-11-17-20(29-13(2)26)21(30-14(3)27)18-19-16(31-22(18)32-17)9-15(24)10-23(19)7-5-4-6-8-23/h10,16-22H,4-9,11H2,1-3H3/t16-,17+,18+,19-,20+,21+,22-/m0/s1
InChIKey RJOWEUQQTKYUNN-CKBSPGBPSA-N
Mol Weight 562.4 g/mol
Molecular Formula C23H31IO8
Exact Mass 562.106363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZZOD46Ym6V
Name [(2R,3S,4R,4aR,4bS,8aS,9aS)-3,4-diacetoxy-7-iodo-spiro[2,3,4,4a,4b,8,8a,9a-octahydropyrano[2,3-b]benzofuran-5,1'-cyclohexane]-2-yl]methyl acetate
Alternate Name(s) [(2R,3S,4R,4aR,4bS,8aS,9aS)-3,4-diacetyloxy-7-iodanyl-spiro[2,3,4,4a,4b,8,8a,9a-octahydropyrano[2,3-b][1]benzofuran-5,1'-cyclohexane]-2-yl]methyl ethanoate [(2R,3S,4R,4aR,4bS,8aS,9aS)-3,4-diacetyloxy-7-iodospiro[2,3,4,4a,4b,8,8a,9a-octahydropyrano[2,3-b][1]benzofuran-5,1'-cyclohexane]-2-yl]methyl acetate Acetic acid [(2R,3S,4R,4aR,4bS,8aS,9aS)-3,4-diacetyloxy-7-iodo-2-spiro[2,3,4,4a,4b,8,8a,9a-octahydropyrano[2,3-b]benzofuran-5,1'-cyclohexane]yl]methyl ester
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Formula C23H31IO8
InChI InChI=1S/C23H31IO8/c1-12(25)28-11-17-20(29-13(2)26)21(30-14(3)27)18-19-16(31-22(18)32-17)9-15(24)10-23(19)7-5-4-6-8-23/h10,16-22H,4-9,11H2,1-3H3/t16-,17+,18+,19-,20+,21+,22-/m0/s1
InChIKey RJOWEUQQTKYUNN-CKBSPGBPSA-N
Molecular Weight 562.397 g/mol
SMILES [C@@]12([C@@](O[C@@]3([C@@]2(C2(C=C(C3)I)CCCCC2)[H])[H])(O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])[H]
SPLASH splash10-01ox-5090400000-b469451bb0b80a9bbc14
Source of Spectrum F-53-8393-0
Wiley ID 802648