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N-(2',3',5'-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-ETHYL-8-CHLORO-5-METHOXY-3-PROPYL-4H-1,4-BENZOTHIAZINE-2-CARBOXYLATE

View entire compound with spectra: 1 NMR

N-(2',3',5'-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-ETHYL-8-CHLORO-5-METHOXY-3-PROPYL-4H-1,4-BENZOTHIAZINE-2-CARBOXYLATE
SpectraBase Compound ID 9mQpGVQ2ZTL
InChI InChI=1S/C41H44ClNO7S/c1-4-15-32-39(41(44)47-5-2)51-38-31(42)22-23-33(45-3)35(38)43(32)40-37(49-26-30-20-13-8-14-21-30)36(48-25-29-18-11-7-12-19-29)34(50-40)27-46-24-28-16-9-6-10-17-28/h6-14,16-23,34,36-37,40H,4-5,15,24-27H2,1-3H3/t34-,36-,37-,40-/m1/s1
InChIKey BQPNAXDIRSJALO-KPASRLDTSA-N
Mol Weight 730.3 g/mol
Molecular Formula C41H44ClNO7S
Exact Mass 729.252702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5f6EfIfoF7g
Name N-(2',3',5'-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-ETHYL-8-CHLORO-5-METHOXY-3-PROPYL-4H-1,4-BENZOTHIAZINE-2-CARBOXYLATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H44ClNO7S
InChI InChI=1S/C41H44ClNO7S/c1-4-15-32-39(41(44)47-5-2)51-38-31(42)22-23-33(45-3)35(38)43(32)40-37(49-26-30-20-13-8-14-21-30)36(48-25-29-18-11-7-12-19-29)34(50-40)27-46-24-28-16-9-6-10-17-28/h6-14,16-23,34,36-37,40H,4-5,15,24-27H2,1-3H3/t34-,36-,37-,40-/m1/s1
InChIKey BQPNAXDIRSJALO-KPASRLDTSA-N
Literature Reference Author N.KHANDELWAL,ABHILASHA,N.GAUTAM,D.C.GAUTAM
Literature Reference Citation J.CHEM.SCI.,125,85(2013)
Literature Reference DOI 10.1007/s12039-013-0363-4
Molecular Weight 730.316 g/mol
Solvent CDCl3
Source File Reference UWBT11306