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BENZYL-2-[2-[2-(2H-BENZOPYRAN-2-ON-7-YL-OXY)-ACETYLAMINO]-3-(2,3:4,6-DI-O-ISOPROPYLIDENE-ALPHA-D-MANNOFURANOS-1-YL-OXY)]-PROPANOATE
SpectraBase Compound ID AiytHAPJjSC
InChI InChI=1S/C33H37NO12/c1-32(2)41-17-24(44-32)27-28-29(46-33(3,4)45-28)31(43-27)40-16-22(30(37)39-15-19-8-6-5-7-9-19)34-25(35)18-38-21-12-10-20-11-13-26(36)42-23(20)14-21/h5-14,22,24,27-29,31H,15-18H2,1-4H3,(H,34,35)/t22?,24?,27-,28+,29+,31+/m0/s1
InChIKey BNFUBXWMQBIZOO-GRTDQLOGSA-N
Mol Weight 639.7 g/mol
Molecular Formula C33H37NO12
Exact Mass 639.231576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6a45g6FxoBT
Name BENZYL-2-[2-[2-(2H-BENZOPYRAN-2-ON-7-YL-OXY)-ACETYLAMINO]-3-(2,3:4,6-DI-O-ISOPROPYLIDENE-ALPHA-D-MANNOFURANOS-1-YL-OXY)]-PROPANOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H37NO12
InChI InChI=1S/C33H37NO12/c1-32(2)41-17-24(44-32)27-28-29(46-33(3,4)45-28)31(43-27)40-16-22(30(37)39-15-19-8-6-5-7-9-19)34-25(35)18-38-21-12-10-20-11-13-26(36)42-23(20)14-21/h5-14,22,24,27-29,31H,15-18H2,1-4H3,(H,34,35)/t22?,24?,27-,28+,29+,31+/m0/s1
InChIKey BNFUBXWMQBIZOO-GRTDQLOGSA-N
Literature Reference Author N.A.AL-MASOUDI,I.A.AL-MASOUDI,Y.A.I.ALI,Y.A.AL-SOUD,B.SAEED, P.LACOLLA
Literature Reference Citation ACTA.PHARM.,56,175(2006)
Molecular Weight 639.656 g/mol
Solvent Unknown
Source File Reference UWLU79056