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(2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-phenylmethoxy-2-oxanecarboxylic acid
SpectraBase Compound ID B2lV0pTa18D
InChI InChI=1S/C16H22O7/c1-19-11-12(20-2)14(21-3)16(23-13(11)15(17)18)22-9-10-7-5-4-6-8-10/h4-8,11-14,16H,9H2,1-3H3,(H,17,18)/t11-,12-,13-,14+,16?/m0/s1
InChIKey NCHIAJUUMQHGLS-JYMWAKCPSA-N
Mol Weight 326.35 g/mol
Molecular Formula C16H22O7
Exact Mass 326.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkaZRQJMJXh
Name (2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-phenylmethoxy-2-oxanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O7
InChI InChI=1S/C16H22O7/c1-19-11-12(20-2)14(21-3)16(23-13(11)15(17)18)22-9-10-7-5-4-6-8-10/h4-8,11-14,16H,9H2,1-3H3,(H,17,18)/t11-,12-,13-,14+,16?/m0/s1
InChIKey NCHIAJUUMQHGLS-JYMWAKCPSA-N
Molecular Weight 326.345 g/mol
SMILES OC([C@]1(OC(OCc2ccccc2)[C@@]([C@]([C@@]1(OC)[H])(OC)[H])(OC)[H])[H])=O
SPLASH splash10-0a4i-0910000000-5474b4b1253ced56d355
Source of Spectrum J-63-2106-22
Synonyms (2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-phenylmethoxy-oxane-2-carboxylic acid (2S,3S,4S,5R,6S)-6-benzoxy-3,4,5-trimethoxy-tetrahydropyran-2-carboxylic acid (2S,3S,4S,5R,6S)-6-benzyloxy-3,4,5-trimethoxy-tetrahydropyran-2-carboxylic acid
Wiley ID 1324592