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(2R,3R,4R,5S)-2,3,4,5-TETRA-O-BENZYL-1-O-(TOLYL-4-SULFONYL)-HEPT-6-YNE-1,2,3,4,5-PENTOL

View entire compound with spectra: 1 NMR

(2R,3R,4R,5S)-2,3,4,5-TETRA-O-BENZYL-1-O-(TOLYL-4-SULFONYL)-HEPT-6-YNE-1,2,3,4,5-PENTOL
SpectraBase Compound ID 8GAQRbBKjCr
InChI InChI=1S/C42H42O7S/c1-3-39(45-28-34-16-8-4-9-17-34)41(47-30-36-20-12-6-13-21-36)42(48-31-37-22-14-7-15-23-37)40(46-29-35-18-10-5-11-19-35)32-49-50(43,44)38-26-24-33(2)25-27-38/h1,4-27,39-42H,28-32H2,2H3/t39-,40+,41+,42-/m1/s1
InChIKey QRLGKUPNEHBNRN-BZXDADGQSA-N
Mol Weight 690.9 g/mol
Molecular Formula C42H42O7S
Exact Mass 690.265125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qJQm4tMJCD
Name (2R,3R,4R,5S)-2,3,4,5-TETRA-O-BENZYL-1-O-(TOLYL-4-SULFONYL)-HEPT-6-YNE-1,2,3,4,5-PENTOL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42O7S
InChI InChI=1S/C42H42O7S/c1-3-39(45-28-34-16-8-4-9-17-34)41(47-30-36-20-12-6-13-21-36)42(48-31-37-22-14-7-15-23-37)40(46-29-35-18-10-5-11-19-35)32-49-50(43,44)38-26-24-33(2)25-27-38/h1,4-27,39-42H,28-32H2,2H3/t39-,40+,41+,42-/m1/s1
InChIKey QRLGKUPNEHBNRN-BZXDADGQSA-N
Literature Reference Author F.DOLHEM,F.A.TAHLI,C.LIEVRE,G.DEMAILLY
Literature Reference Citation EUR.J.ORG.CHEM.,5019(2005)
Molecular Weight 690.851 g/mol
Sample ID 42461
Solvent CDCl3