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2(R),3(S),4(R),4a(R),4b(R),8a(R),9a(S)-2-Acetoxymethyl-5,5-cyclohexylene-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-3,4-diol diacetate

View entire compound with spectra: 1 MS (GC)

2(R),3(S),4(R),4a(R),4b(R),8a(R),9a(S)-2-Acetoxymethyl-5,5-cyclohexylene-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-3,4-diol diacetate
SpectraBase Compound ID 3EF7IUPN3dp
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+/m1/s1
InChIKey RJOWEUQQTKYUNN-YPMIVSHASA-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 l0zVrgBavF
Name 2(R),3(S),4(R),4a(R),4b(R),8a(R),9a(S)-2-Acetoxymethyl-5,5-cyclohexylene-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-3,4-diol diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/m1/s1
InChIKey RJOWEUQQTKYUNN-YPMIVSHASA-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@](COC(=O)C)([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-001j-9610200000-8b05faba58b7a8510456
Source of Spectrum F-53-8393-0
Synonyms (1'R,2'R,11'R,12'S,13'R)-12',13'-bis(acetyloxy)-5'-iodo-8',10'-dioxaspiro[cyclohexane-1,3'-tricyclo[7.4.0.0(2,7)]tridecan]-4'-en-11'-ylmethyl acetate Acetic acid [(2R,3S,4R,4aR,4bR,8aR,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 [(2R,3S,4R,4aR,4bR,8aR,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 [(2R,3S,4R,4aR,4bR,8aR,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 [(2R,3S,4R,4aR,4bR,8aR,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
Wiley ID 802647