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acetic acid [(2S,3R,4S,5R,6R)-3-acetoxy-5-(benzyloxy)-2-[(2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-5-(benzyloxy)-6-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-(benzyloxy
SpectraBase Compound ID LgutI4rpzuY
InChI InChI=1S/C66H82O31/c1-34(67)78-30-47-51(80-27-44-21-15-12-16-22-44)55(85-36(3)69)60(90-41(8)74)64(94-47)83-32-48-52(81-28-45-23-17-13-18-24-45)56(86-37(4)70)61(91-42(9)75)65(95-48)84-33-49-53(82-29-46-25-19-14-20-26-46)57(87-38(5)71)62(92-43(10)76)66(96-49)97-54-50(31-79-35(2)68)93-63(77-11)59(89-40(7)73)58(54)88-39(6)72/h12-26,47-66H,27-33H2,1-11H3/t47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59-,60-,61-,62-,63+,64-,65-,66+/m1/s1
InChIKey UKMCKRAULFJHIL-ZYGPXEIDSA-N
Mol Weight 1371.4 g/mol
Molecular Formula C66H82O31
Exact Mass 1370.484006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Iuo8v2875P
Name acetic acid [(2S,3R,4S,5R,6R)-3-acetoxy-5-(benzyloxy)-2-[(2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-5-(benzyloxy)-6-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-(benzyloxy
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H82O31
InChI InChI=1S/C66H82O31/c1-34(67)78-30-47-51(80-27-44-21-15-12-16-22-44)55(85-36(3)69)60(90-41(8)74)64(94-47)83-32-48-52(81-28-45-23-17-13-18-24-45)56(86-37(4)70)61(91-42(9)75)65(95-48)84-33-49-53(82-29-46-25-19-14-20-26-46)57(87-38(5)71)62(92-43(10)76)66(96-49)97-54-50(31-79-35(2)68)93-63(77-11)59(89-40(7)73)58(54)88-39(6)72/h12-26,47-66H,27-33H2,1-11H3/t47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59-,60-,61-,62-,63+,64-,65-,66+/m1/s1
InChIKey UKMCKRAULFJHIL-ZYGPXEIDSA-N
Literature Reference Author X.WU,M.GRATHWOHL,R.R.SCHMIDT
Literature Reference Citation ORG.LETTERS,3,747(2001)
Literature Reference DOI 10.1021/ol007062e
Molecular Weight 1371.358 g/mol
Solvent CDCl3
Source File Reference UWLU33727