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[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromo-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate

View entire compound with spectra: 1 MS (GC)

[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromo-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate
SpectraBase Compound ID 145UkGNXwz2
InChI InChI=1S/C26H35BrO17/c1-10(28)35-8-17-20(21(38-13(4)31)23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)19(37-12(3)30)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1
InChIKey NLFHLQWXGDPOME-VRECAULFSA-N
Mol Weight 699.5 g/mol
Molecular Formula C26H35BrO17
Exact Mass 698.105763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSCOyZcY9dT
Name [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromo-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate
Alternate Name(s) [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromanyl-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]oxyoxan-2-yl]methyl acetate Acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromo-3-oxanyl]oxy]-2-oxanyl]methyl ester
CAS Registry Number 14227-66-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35BrO17
InChI InChI=1S/C26H35BrO17/c1-10(28)35-8-17-20(21(38-13(4)31)23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)19(37-12(3)30)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1
InChIKey NLFHLQWXGDPOME-VRECAULFSA-N
Molecular Weight 699.453 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(O[C@]1([C@@]([C@@](OC(=O)C)([C@](O[C@@]1(COC(=O)C)[H])(Br)[H])[H])(OC(=O)C)[H])[H])[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0006-9300000000-9ab2b3459d6f1d3baf26
Source of Spectrum H-67-384-0
Wiley ID 1414974