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ALLYL 2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-CELLOBIOSIDE
SpectraBase Compound ID Je4iXMMLQoC
InChI InChI=1S/C29H40O18/c1-9-10-37-28-26(43-18(7)35)25(42-17(6)34)23(21(45-28)12-39-14(3)31)47-29-27(44-19(8)36)24(41-16(5)33)22(40-15(4)32)20(46-29)11-38-13(2)30/h9,20-29H,1,10-12H2,2-8H3/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKey XRDJENZJYZRSNB-OXUWYBOZSA-N
Mol Weight 676.6 g/mol
Molecular Formula C29H40O18
Exact Mass 676.221464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhMA8RhhysS
Name ALLYL 2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-CELLOBIOSIDE
Comments .5
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Formula C29H40O18
InChI InChI=1S/C29H40O18/c1-9-10-37-28-26(43-18(7)35)25(42-17(6)34)23(21(45-28)12-39-14(3)31)47-29-27(44-19(8)36)24(41-16(5)33)22(40-15(4)32)20(46-29)11-38-13(2)30/h9,20-29H,1,10-12H2,2-8H3/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKey XRDJENZJYZRSNB-OXUWYBOZSA-N
Instrument Name Bruker WM-250
Literature Reference A.YA.CHERNYAK, K.V.ANTONOV, B.A.DMITRIEV, N.K.KOCHETKOV, L.N.PADYUKOV,N.V.TSVETKOVA (1984) Bioorganich.Khim.(Russ. Lang.): v.10, N10, 1376-1384.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent SEE COMMENT