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D-manno-2-Heptulose, 3,4:6,7-bis-O-(1-methylethylidene)-1-C-phenyl-, (S)-
SpectraBase Compound ID GzgtXbxshoR
InChI InChI=1S/C19H26O7/c1-18(2)23-10-12(24-18)14(21)16-17(26-19(3,4)25-16)15(22)13(20)11-8-6-5-7-9-11/h5-9,12-14,16-17,20-21H,10H2,1-4H3/t12-,13+,14-,16+,17-/m1/s1
InChIKey XYUANDFVDVFNLH-SSOQLKFYSA-N
Mol Weight 366.41 g/mol
Molecular Formula C19H26O7
Exact Mass 366.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtNDXUSNZZW
Name D-manno-2-Heptulose, 3,4:6,7-bis-O-(1-methylethylidene)-1-C-phenyl-, (S)-
Alternate Name(s) (2S)-1-[(4S,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-2-phenylethan-1-one 3,4:6,7-di-O-isopropyliden-1-phenyl-D-manno-glycero-heptulofuranose (isomer a)
CAS Registry Number 85398-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O7
InChI InChI=1S/C19H26O7/c1-18(2)23-10-12(24-18)14(21)16-17(26-19(3,4)25-16)15(22)13(20)11-8-6-5-7-9-11/h5-9,12-14,16-17,20-21H,10H2,1-4H3/t12-,13+,14-,16+,17-/m1/s1
InChIKey XYUANDFVDVFNLH-SSOQLKFYSA-N
Molecular Weight 366.410 g/mol
SMILES O[C@@]([C@]1([C@@](C([C@](c2ccccc2)(O)[H])=O)(OC(O1)(C)C)[H])[H])([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-0a4i-5960000000-89ef3b06a80ba277623f
Source of Spectrum H-65-2265-0
Wiley ID 1351871