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(Z)-Methyl-4,6-O-Isopropylidene-7-C-phenyl-L-ido-hept-2-enonate
SpectraBase Compound ID 5xM6pK3oaWe
InChI InChI=1S/C17H22O6/c1-17(2)22-12(9-10-13(18)21-3)15(20)16(23-17)14(19)11-7-5-4-6-8-11/h4-10,12,14-16,19-20H,1-3H3/b10-9-/t12-,14-,15+,16+/m0/s1
InChIKey IWQRDUHMKJLUCM-XOWMOYFKSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKJzVQxrqSC
Name (Z)-Methyl-4,6-O-Isopropylidene-7-C-phenyl-L-ido-hept-2-enonate
Comments Less than 3 mono-isotopic peaks
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Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-17(2)22-12(9-10-13(18)21-3)15(20)16(23-17)14(19)11-7-5-4-6-8-11/h4-10,12,14-16,19-20H,1-3H3/b10-9-/t12-,14-,15+,16+/m0/s1
InChIKey IWQRDUHMKJLUCM-XOWMOYFKSA-N
Molecular Weight 322.357 g/mol
SMILES O[C@]1([C@@]([C@](c2ccccc2)(O)[H])(OC(O[C@]1(\C=C/C(=O)OC)[H])(C)C)[H])[H]
SPLASH splash10-0a4i-0009000000-32a96dc749cbdd1ea7c7
Source of Spectrum J-60-3129-22
Synonyms (Z)-3-[(4S,5R,6R)-5-Hydroxy-6-((S)-hydroxy-phenyl-methyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acrylic acid methyl ester (Z)-3-[(4S,5R,6R)-5-hydroxy-6-[(S)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-propenoic acid methyl ester methyl (Z)-3-[(4S,5R,6R)-5-hydroxy-6-[(S)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enoate methyl (Z)-3-[(4S,5R,6R)-2,2-dimethyl-5-oxidanyl-6-[(S)-oxidanyl(phenyl)methyl]-1,3-dioxan-4-yl]prop-2-enoate
Wiley ID 1321605