John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9rZSfaMlxos SpectraBase Spectrum ID=CSPCdtpJV3c

(accessed ).
1-HEXYL-2-ACETAMIDO-3-O-[2-(4-[BIS-(2-CHLOROETHYL)-AMINO-PHENYL]-BUTANAMIDO)-ETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 9rZSfaMlxos
InChI InChI=1S/C30H49Cl2N3O7/c1-3-4-5-6-19-41-30-27(34-22(2)37)29(28(39)25(21-36)42-30)40-20-16-33-26(38)9-7-8-23-10-12-24(13-11-23)35(17-14-31)18-15-32/h10-13,25,27-30,36,39H,3-9,14-21H2,1-2H3,(H,33,38)(H,34,37)/t25-,27-,28-,29-,30-/m0/s1
InChIKey YIWVTFFZNUKSSV-BJNPORTCSA-N
Mol Weight 634.6 g/mol
Molecular Formula C30H49Cl2N3O7
Exact Mass 633.294757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSPCdtpJV3c
Name 1-HEXYL-2-ACETAMIDO-3-O-[2-(4-[BIS-(2-CHLOROETHYL)-AMINO-PHENYL]-BUTANAMIDO)-ETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Compound Number 29
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H49Cl2N3O7
InChI InChI=1S/C30H49Cl2N3O7/c1-3-4-5-6-19-41-30-27(34-22(2)37)29(28(39)25(21-36)42-30)40-20-16-33-26(38)9-7-8-23-10-12-24(13-11-23)35(17-14-31)18-15-32/h10-13,25,27-30,36,39H,3-9,14-21H2,1-2H3,(H,33,38)(H,34,37)/t25-,27-,28-,29-,30-/m0/s1
InChIKey YIWVTFFZNUKSSV-BJNPORTCSA-N
Literature Reference Author F.IGLESIAS-GUERRA,J.I.CANDELA,J.BAUTISTA,F.ALCUDIA,J.M.VEGA- PEREZ
Literature Reference Citation CARBOHYDR.RES.,316,71(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00030-0
Molecular Weight 634.641 g/mol
Solvent ME2SO-D6
Source File Reference UWMP15112
SpectraBase Batch ID 9Omtl5mFdFa