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4-{2-[rel-(1R,3R,5S)-7-Oxo-2,6-dioxabicyclo[3.3.1]non-3-yl]ethyl}phenyl 3,4,5-Trihydroxybenzoate
SpectraBase Compound ID FP0NcUvnBNR
InChI InChI=1S/C22H22O8/c23-18-7-13(8-19(24)21(18)26)22(27)30-14-4-1-12(2-5-14)3-6-15-9-16-10-17(28-15)11-20(25)29-16/h1-2,4-5,7-8,15-17,23-24,26H,3,6,9-11H2/t15-,16+,17-/m1/s1
InChIKey ONBKSDBCHJGLOX-IXDOHACOSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70aJwA1b6tp
Name 4-{2-[rel-(1R,3R,5S)-7-Oxo-2,6-dioxabicyclo[3.3.1]non-3-yl]ethyl}phenyl 3,4,5-Trihydroxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c23-18-7-13(8-19(24)21(18)26)22(27)30-14-4-1-12(2-5-14)3-6-15-9-16-10-17(28-15)11-20(25)29-16/h1-2,4-5,7-8,15-17,23-24,26H,3,6,9-11H2/t15-,16+,17-/m1/s1
InChIKey ONBKSDBCHJGLOX-IXDOHACOSA-N
Literature Reference DOI 10.1002/hlca.201400367
Molecular Weight 414.410 g/mol
SMILES Oc1cc(cc(c1O)O)C(Oc1ccc(CC[C@@]2(C[C@@]3(OC(C[C@](O2)(C3)[H])=O)[H])[H])cc1)=O
SPLASH splash10-052b-5932000000-6dd82a22a57964b3e14f
Source of Spectrum H-98-951-2
Synonyms 4-(2-((1R,3R,5S)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl)ethyl)phenyl 3,4,5-trihydroxybenzoate
Wiley ID 1786351