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(threo)-1-O-(m-Chlorobenzoyl)-1-(4'-benzyloxy-3'-methoxyphenyl)-1,2,3-propanetriol
SpectraBase Compound ID KWzIVeZrgBY
InChI InChI=1S/C24H23ClO6/c1-29-22-13-17(10-11-21(22)30-15-16-6-3-2-4-7-16)23(20(27)14-26)31-24(28)18-8-5-9-19(25)12-18/h2-13,20,23,26-27H,14-15H2,1H3/t20-,23+/m1/s1
InChIKey RADNYVZXIRFMLJ-OFNKIYASSA-N
Mol Weight 442.9 g/mol
Molecular Formula C24H23ClO6
Exact Mass 442.118316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jw9bGSKEXLQ
Name (threo)-1-O-(m-Chlorobenzoyl)-1-(4'-benzyloxy-3'-methoxyphenyl)-1,2,3-propanetriol
Alternate Name(s) 3-Chlorobenzoic acid [(1S,2R)-2,3-dihydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] ester [(1S,2R)-2,3-dihydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] 3-chlorobenzoate [(1S,2R)-1-(4-benzyloxy-3-methoxy-phenyl)-2,3-dihydroxy-propyl] 3-chlorobenzoate [(1S,2R)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2,3-bis(oxidanyl)propyl] 3-chloranylbenzoate
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Formula C24H23ClO6
InChI InChI=1S/C24H23ClO6/c1-29-22-13-17(10-11-21(22)30-15-16-6-3-2-4-7-16)23(20(27)14-26)31-24(28)18-8-5-9-19(25)12-18/h2-13,20,23,26-27H,14-15H2,1H3/t20-,23+/m1/s1
InChIKey RADNYVZXIRFMLJ-OFNKIYASSA-N
Molecular Weight 442.895 g/mol
SMILES O[C@](CO)([C@@](OC(c1cc(Cl)ccc1)=O)(c1cc(OC)c(cc1)OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9410000000-775a48574a95007eb6dc
Source of Spectrum SK-32-561-5
Wiley ID 1548558