8-METHOXYCARBONYLOCTYL-4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-3-O-[N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL]-BETA-D-

SpectraBase Compound ID	GKZrnO8H05J
InChI	InChI=1S/C47H80N2O31/c1-18(55)48-27-20(57)12-47(46(68)69,79-40(27)29(60)21(58)13-50)80-41-36(67)45(76-37-24(16-53)74-43(35(66)33(37)64)71-11-9-7-5-4-6-8-10-26(59)70-3)75-25(17-54)38(41)77-42-28(49-19(2)56)39(31(62)23(15-52)72-42)78-44-34(65)32(63)30(61)22(14-51)73-44/h20-25,27-45,50-54,57-58,60-67H,4-17H2,1-3H3,(H,48,55)(H,49,56)(H,68,69)/t20-,21+,22+,23+,24+,25+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39+,40+,41+,42-,43+,44-,45-,47-/m0/s1
InChIKey	KYCRSGRPNRCZNF-GVZVBFNBSA-N Google Search
Mol Weight	1169.1 g/mol
Molecular Formula	C47H80N2O31
Exact Mass	1168.474504 g/mol

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SpectraBase Spectrum ID	1tfqBF6PUaF
Name	8-METHOXYCARBONYLOCTYL-4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-3-O-[N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL]-BETA-D-
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C47H80N2O31
InChI	InChI=1S/C47H80N2O31/c1-18(55)48-27-20(57)12-47(46(68)69,79-40(27)29(60)21(58)13-50)80-41-36(67)45(76-37-24(16-53)74-43(35(66)33(37)64)71-11-9-7-5-4-6-8-10-26(59)70-3)75-25(17-54)38(41)77-42-28(49-19(2)56)39(31(62)23(15-52)72-42)78-44-34(65)32(63)30(61)22(14-51)73-44/h20-25,27-45,50-54,57-58,60-67H,4-17H2,1-3H3,(H,48,55)(H,49,56)(H,68,69)/t20-,21+,22+,23+,24+,25+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39+,40+,41+,42-,43+,44-,45-,47-/m0/s1
InChIKey	KYCRSGRPNRCZNF-GVZVBFNBSA-N
Literature Reference Author	S.SABESAN,K.BOCK,R.U.LEMIEUX
Literature Reference Citation	CAN.J.CHEM.,62,1034(1984)
Literature Reference DOI	10.1139/v84-172
Molecular Weight	1169.147 g/mol
Solvent	D2O
Source File Reference	UWCS8701