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(3R,4S)(5S,4R)-tert-Butyl 3-iodomethyl-4-methoxy-5-(2,2,4-trimethyl-1,3-dioxolan-5-yl)-5-(p-methoxybenzoxy)pentanoate
SpectraBase Compound ID lxxooN5dtC
InChI InChI=1S/C25H39IO7/c1-16-21(33-25(5,6)31-16)23(30-15-17-9-11-19(28-7)12-10-17)22(29-8)18(14-26)13-20(27)32-24(2,3)4/h9-12,16,18,21-23H,13-15H2,1-8H3/t16-,18+,21+,22+,23+/m1/s1
InChIKey HICHRRRIIROILN-UNVSHWJJSA-N
Mol Weight 578.5 g/mol
Molecular Formula C25H39IO7
Exact Mass 578.174049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8EsIxSBFb
Name (3R,4S)(5S,4R)-tert-Butyl 3-iodomethyl-4-methoxy-5-(2,2,4-trimethyl-1,3-dioxolan-5-yl)-5-(p-methoxybenzoxy)pentanoate
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Formula C25H39IO7
InChI InChI=1S/C25H39IO7/c1-16-21(33-25(5,6)31-16)23(30-15-17-9-11-19(28-7)12-10-17)22(29-8)18(14-26)13-20(27)32-24(2,3)4/h9-12,16,18,21-23H,13-15H2,1-8H3/t16-,18+,21+,22+,23+/m1/s1
InChIKey HICHRRRIIROILN-UNVSHWJJSA-N
Molecular Weight 578.484 g/mol
SMILES [C@@]1([C@@]([C@]([C@@](CC(OC(C)(C)C)=O)(CI)[H])(OC)[H])(OCc2ccc(cc2)OC)[H])(OC(C)(C)O[C@@]1(C)[H])[H]
SPLASH splash10-00di-0910010000-6ecd18f83ab3ca26c5f5
Source of Spectrum F-55-1619-22
Synonyms tert-Butyl 2,3,8-trideoxy-3-(iodomethyl)-5-O-(4-methoxybenzyl)-4-O-methyl-6,7-O-(1-methylethylidene)-D-ido-octonate tert-Butyl 3-iodomethyl-4-methoxy-5-[(2,2,4-trimethyl-1,3-dioxolan-5-yl)-5-(p-methoxybenzoxy)pentanoate
Wiley ID 836782