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#28;[(2Z),(6E),(10E)]-12-(ACETYLTHIO)-7,11-DIMETHYL-5-(PHENYLSULFONYL)-DODECA-2,6,10-TRIEN-1-YL-2,3,4-TRI-O-ACETYL-6-DEOXY-6-AZIDO-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID JZRxOiLgwJz
InChI InChI=1S/C34H45N3O11S2/c1-22(13-12-14-23(2)21-49-27(6)41)19-29(50(42,43)28-15-8-7-9-16-28)17-10-11-18-44-34-33(47-26(5)40)32(46-25(4)39)31(45-24(3)38)30(48-34)20-36-37-35/h7-11,14-16,19,29-34H,12-13,17-18,20-21H2,1-6H3/b11-10-,22-19+,23-14+/t29?,30-,31-,32+,33+,34+/m1/s1
InChIKey ZCOKDQUJOFMIBR-IIYKIACZSA-N
Mol Weight 735.9 g/mol
Molecular Formula C34H45N3O11S2
Exact Mass 735.249552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cyJh3vZq5b
Name #28;[(2Z),(6E),(10E)]-12-(ACETYLTHIO)-7,11-DIMETHYL-5-(PHENYLSULFONYL)-DODECA-2,6,10-TRIEN-1-YL-2,3,4-TRI-O-ACETYL-6-DEOXY-6-AZIDO-ALPHA-D-MANNOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H45N3O11S2
InChI InChI=1S/C34H45N3O11S2/c1-22(13-12-14-23(2)21-49-27(6)41)19-29(50(42,43)28-15-8-7-9-16-28)17-10-11-18-44-34-33(47-26(5)40)32(46-25(4)39)31(45-24(3)38)30(48-34)20-36-37-35/h7-11,14-16,19,29-34H,12-13,17-18,20-21H2,1-6H3/b11-10-,22-19+,23-14+/t29?,30-,31-,32+,33+,34+/m1/s1
InChIKey ZCOKDQUJOFMIBR-IIYKIACZSA-N
Literature Reference Author S.COMBEMALE,J.N.ASSAM-EVOUNG,S.HOUAIDJI,R.BIBI,V.BARRAGAN-MO NTERO
Literature Reference Citation MOLECULES,19,1120(2014)
Literature Reference DOI 10.3390/molecules19011120
Molecular Weight 735.865 g/mol
Solvent CDCl3
Source File Reference UWBT14311