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(2S)-2-[(3aS,4S,6S,6aS)-2,2-dimethyl-4-oxidanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxy-ethanoic acid

View entire compound with spectra: 1 MS (GC)

(2S)-2-[(3aS,4S,6S,6aS)-2,2-dimethyl-4-oxidanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxy-ethanoic acid
SpectraBase Compound ID Gyd5Ujh7PsD
InChI InChI=1S/C16H20O7/c1-16(2)22-11-10(21-15(19)13(11)23-16)12(14(17)18)20-8-9-6-4-3-5-7-9/h3-7,10-13,15,19H,8H2,1-2H3,(H,17,18)/t10-,11-,12-,13-,15-/m0/s1
InChIKey SPECBPRAZUPNTE-CXOVXGEYSA-N
Mol Weight 324.33 g/mol
Molecular Formula C16H20O7
Exact Mass 324.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2h2F3jzFtg
Name (2S)-2-[(3aS,4S,6S,6aS)-2,2-dimethyl-4-oxidanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxy-ethanoic acid
Alternate Name(s) (2S)-2-[(3aS,4S,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-benzoxy-acetic acid (2S)-2-[(3aS,4S,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-benzyloxy-acetic acid (2S)-2-[(3aS,4S,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyacetic acid
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Formula C16H20O7
InChI InChI=1S/C16H20O7/c1-16(2)22-11-10(21-15(19)13(11)23-16)12(14(17)18)20-8-9-6-4-3-5-7-9/h3-7,10-13,15,19H,8H2,1-2H3,(H,17,18)/t10-,11-,12-,13-,15-/m0/s1
InChIKey SPECBPRAZUPNTE-CXOVXGEYSA-N
Molecular Weight 324.329 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]([C@@](C(=O)O)(OCc3ccccc3)[H])(O1)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0690-0890000000-1280258d55b9f516caf3
Source of Spectrum J-63-2107-33
Wiley ID 1323038