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1,3,5-TRIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLOXYONATE-PROP-2-YNYL)-BENZENE
SpectraBase Compound ID IaxVWJfyOrU
InChI InChI=1S/C75H93N3O39/c1-37(79)76-61-55(106-43(7)85)31-73(70(94)97-16,115-67(61)64(112-49(13)91)58(109-46(10)88)34-100-40(4)82)103-25-19-22-52-28-53(23-20-26-104-74(71(95)98-17)32-56(107-44(8)86)62(77-38(2)80)68(116-74)65(113-50(14)92)59(110-47(11)89)35-101-41(5)83)30-54(29-52)24-21-27-105-75(72(96)99-18)33-57(108-45(9)87)63(78-39(3)81)69(117-75)66(114-51(15)93)60(111-48(12)90)36-102-42(6)84/h28-30,55-69H,25-27,31-36H2,1-18H3,(H,76,79)(H,77,80)(H,78,81)/t55-,56-,57+,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68+,69-,73+,74+,75-/m0/s1
InChIKey BOVHXCRAQWIULM-KCUWYFCISA-N
Mol Weight 1660.6 g/mol
Molecular Formula C75H93N3O39
Exact Mass 1659.53862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1w3BjIUoCsv
Name 1,3,5-TRIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLOXYONATE-PROP-2-YNYL)-BENZENE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H93N3O39
InChI InChI=1S/C75H93N3O39/c1-37(79)76-61-55(106-43(7)85)31-73(70(94)97-16,115-67(61)64(112-49(13)91)58(109-46(10)88)34-100-40(4)82)103-25-19-22-52-28-53(23-20-26-104-74(71(95)98-17)32-56(107-44(8)86)62(77-38(2)80)68(116-74)65(113-50(14)92)59(110-47(11)89)35-101-41(5)83)30-54(29-52)24-21-27-105-75(72(96)99-18)33-57(108-45(9)87)63(78-39(3)81)69(117-75)66(114-51(15)93)60(111-48(12)90)36-102-42(6)84/h28-30,55-69H,25-27,31-36H2,1-18H3,(H,76,79)(H,77,80)(H,78,81)/t55-,56-,57+,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68+,69-,73+,74+,75-/m0/s1
InChIKey BOVHXCRAQWIULM-KCUWYFCISA-N
Literature Reference Author Z.GAN,R.ROY
Literature Reference Citation CAN.J.CHEM.,80,908(2002)
Literature Reference DOI 10.1139/v02-053
Molecular Weight 1660.560 g/mol
Solvent CDCl3
Source File Reference UWLU29944