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(2S,3R,4R,5R,6S)-2-methyl-6-[4-[[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxybenzyl]amino]methyl]phenoxy]tetrahydropyran-3,4,5-triol

View entire compound with spectra: 1 MS (GC)

(2S,3R,4R,5R,6S)-2-methyl-6-[4-[[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxybenzyl]amino]methyl]phenoxy]tetrahydropyran-3,4,5-triol
SpectraBase Compound ID J1TkF6hteiZ
InChI InChI=1S/C26H35NO10/c1-13-19(28)21(30)23(32)25(34-13)36-17-7-3-15(4-8-17)11-27-12-16-5-9-18(10-6-16)37-26-24(33)22(31)20(29)14(2)35-26/h3-10,13-14,19-33H,11-12H2,1-2H3/t13-,14-,19-,20-,21+,22+,23+,24+,25-,26-/m0/s1
InChIKey AZACRLLLENNJTM-VLQYGCTQSA-N
Mol Weight 521.6 g/mol
Molecular Formula C26H35NO10
Exact Mass 521.226096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Icz4PYOOI2D
Name (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxybenzyl]amino]methyl]phenoxy]tetrahydropyran-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO10
InChI InChI=1S/C26H35NO10/c1-13-19(28)21(30)23(32)25(34-13)36-17-7-3-15(4-8-17)11-27-12-16-5-9-18(10-6-16)37-26-24(33)22(31)20(29)14(2)35-26/h3-10,13-14,19-33H,11-12H2,1-2H3/t13-,14-,19-,20-,21+,22+,23+,24+,25-,26-/m0/s1
InChIKey AZACRLLLENNJTM-VLQYGCTQSA-N
Molecular Weight 521.563 g/mol
SMILES O[C@]1([C@]([C@](Oc2ccc(CNCc3ccc(O[C@]4([C@@]([C@@]([C@]([C@@](O4)(C)[H])(O)[H])(O)[H])(O)[H])[H])cc3)cc2)(O[C@]([C@@]1(O)[H])(C)[H])[H])(O)[H])[H]
SPLASH splash10-0a4i-0900000000-e05b617be0a1a081f9b6
Source of Spectrum KC-0-394-4
Synonyms (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]methylamino]methyl]phenoxy]tetrahydropyran-3,4,5-triol (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methylamino]methyl]phenoxy]oxane-3,4,5-triol (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methylamino]methyl]phenoxy]oxane-3,4,5-triol (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]methylamino]methyl]phenoxy]oxane-3,4,5-triol
Wiley ID 829904