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BENZYL[2-(BENZYLOXYCARBONYLAMINO)ETHYL-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-BETA-CELLOBIOSIDE]URONATE
SpectraBase Compound ID 5a2nPwTgYFj
InChI InChI=1S/C73H81NO24/c1-46(75)84-45-58-60(62(90-47(2)76)67(92-49(4)78)70(94-58)83-37-36-74-73(81)89-43-56-34-22-11-23-35-56)96-72-68(93-50(5)79)64(91-48(3)77)63(65(98-72)69(80)88-42-55-32-20-10-21-33-55)97-71-66(87-41-54-30-18-9-19-31-54)61(86-40-53-28-16-8-17-29-53)59(85-39-52-26-14-7-15-27-52)57(95-71)44-82-38-51-24-12-6-13-25-51/h6-35,57-68,70-72H,36-45H2,1-5H3,(H,74,81)/t57-,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68-,70-,71-,72-/m1/s1
InChIKey OOFNVNCQPOOLQO-APKYSCJASA-N
Mol Weight 1356.4 g/mol
Molecular Formula C73H81NO24
Exact Mass 1355.514852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aHZkKvrDnu
Name BENZYL[2-(BENZYLOXYCARBONYLAMINO)ETHYL-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-BETA-CELLOBIOSIDE]URONATE
Comments 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C73H81NO24
InChI InChI=1S/C73H81NO24/c1-46(75)84-45-58-60(62(90-47(2)76)67(92-49(4)78)70(94-58)83-37-36-74-73(81)89-43-56-34-22-11-23-35-56)96-72-68(93-50(5)79)64(91-48(3)77)63(65(98-72)69(80)88-42-55-32-20-10-21-33-55)97-71-66(87-41-54-30-18-9-19-31-54)61(86-40-53-28-16-8-17-29-53)59(85-39-52-26-14-7-15-27-52)57(95-71)44-82-38-51-24-12-6-13-25-51/h6-35,57-68,70-72H,36-45H2,1-5H3,(H,74,81)/t57-,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68-,70-,71-,72-/m1/s1
InChIKey OOFNVNCQPOOLQO-APKYSCJASA-N
Instrument Name Bruker AM-300
Literature Reference A.YA.CHERNYAK, K.V.ANTONOV (1992) Bioorganich.Khim.(Russ. Lang.): v.18, N5, 716-725.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d