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(1S,2R,3R,4R,6S)-2,3-dibenzoxy-4-(benzoxymethyl)-6-iodo-cyclohexanol
SpectraBase Compound ID 5BkIw3uFpjg
InChI InChI=1S/C28H31IO4/c29-25-16-24(20-31-17-21-10-4-1-5-11-21)27(32-18-22-12-6-2-7-13-22)28(26(25)30)33-19-23-14-8-3-9-15-23/h1-15,24-28,30H,16-20H2/t24-,25+,26-,27-,28-/m1/s1
InChIKey NUOYRKVSENXRSY-CRWBFSFISA-N
Mol Weight 558.46 g/mol
Molecular Formula C28H31IO4
Exact Mass 558.126704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55OmZH2lxIB
Name (1S,2R,3R,4R,6S)-2,3-dibenzoxy-4-(benzoxymethyl)-6-iodo-cyclohexanol
Alternate Name(s) (1S,2R,3R,4R,6S)-2,3-dibenzyloxy-4-(benzyloxymethyl)-6-iodo-cyclohexanol (1S,2R,3R,4R,6S)-6-iodanyl-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexan-1-ol (1S,2R,3R,4R,6S)-6-iodo-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1-cyclohexanol (1S,2R,3R,4R,6S)-6-iodo-2,3-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexan-1-ol
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Formula C28H31IO4
InChI InChI=1S/C28H31IO4/c29-25-16-24(20-31-17-21-10-4-1-5-11-21)27(32-18-22-12-6-2-7-13-22)28(26(25)30)33-19-23-14-8-3-9-15-23/h1-15,24-28,30H,16-20H2/t24-,25+,26-,27-,28-/m1/s1
InChIKey NUOYRKVSENXRSY-CRWBFSFISA-N
Molecular Weight 558.456 g/mol
SMILES O[C@]1([C@]([C@@]([C@](C[C@@]1(I)[H])(COCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000200000-9d7a0066865da68f1a34
Source of Spectrum KC-0-2022-16
Wiley ID 781672