[(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetoxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-2-yl]methyl acetate

SpectraBase Compound ID	5zMdR5vPKpM
InChI	InChI=1S/C18H23IO8/c1-8(20)23-7-14-16(24-9(2)21)17(25-10(3)22)15-12-5-4-11(19)6-13(12)26-18(15)27-14/h4,12-18H,5-7H2,1-3H3/t12-,13-,14-,15-,16-,17-,18+/m1/s1
InChIKey	XLNFIAMIGIIWST-TVLLWILJSA-N Google Search
Mol Weight	494.28 g/mol
Molecular Formula	C18H23IO8
Exact Mass	494.043763 g/mol

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SpectraBase Spectrum ID	GaIhnV6COUu
Name	[(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetoxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-2-yl]methyl acetate
Alternate Name(s)	[(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetyloxy-7-iodanyl-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b][1]benzofuran-2-yl]methyl ethanoate [(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetyloxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b][1]benzofuran-2-yl]methyl acetate acetic acid [(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetyloxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-2-yl]methyl ester
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H23IO8
InChI	InChI=1S/C18H23IO8/c1-8(20)23-7-14-16(24-9(2)21)17(25-10(3)22)15-12-5-4-11(19)6-13(12)26-18(15)27-14/h4,12-18H,5-7H2,1-3H3/t12-,13-,14-,15-,16-,17-,18+/m1/s1
InChIKey	XLNFIAMIGIIWST-TVLLWILJSA-N
Molecular Weight	494.278 g/mol
SMILES	[C@@]12([C@@](O[C@]3([C@]2(CC=C(I)C3)[H])[H])(O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])[H]
SPLASH	splash10-014i-0900000000-4e33b344003d6a522ffb
Source of Spectrum	F-53-8416-0
Wiley ID	802630