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acetic acid [(2R,3R,4R,5R,6S)-3-[[(2S,4aR,6S,7R,8R,8aS)-7-acetamido-8-(tert-butyl-dimethyl-silyl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-5-acetamido-2-(benzyloxymethyl)-6-(ethylthio)tetrahydropyran-4-yl] ester
SpectraBase Compound ID 9IU8NcXNapx
InChI InChI=1S/C40H58N2O11SSi/c1-10-54-39-32(42-25(3)44)35(48-26(4)45)33(29(50-39)22-46-21-27-17-13-11-14-18-27)52-38-31(41-24(2)43)36(53-55(8,9)40(5,6)7)34-30(49-38)23-47-37(51-34)28-19-15-12-16-20-28/h11-20,29-39H,10,21-23H2,1-9H3,(H,41,43)(H,42,44)/t29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+/m1/s1
InChIKey VLVTYNYMEZZKCQ-INHVJFQRSA-N
Mol Weight 803.1 g/mol
Molecular Formula C40H58N2O11SSi
Exact Mass 802.353058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34vItyN5wRn
Name acetic acid [(2R,3R,4R,5R,6S)-3-[[(2S,4aR,6S,7R,8R,8aS)-7-acetamido-8-(tert-butyl-dimethyl-silyl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-5-acetamido-2-(benzyloxymethyl)-6-(ethylthio)tetrahydropyran-4-yl] ester
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H58N2O11SSi
InChI InChI=1S/C40H58N2O11SSi/c1-10-54-39-32(42-25(3)44)35(48-26(4)45)33(29(50-39)22-46-21-27-17-13-11-14-18-27)52-38-31(41-24(2)43)36(53-55(8,9)40(5,6)7)34-30(49-38)23-47-37(51-34)28-19-15-12-16-20-28/h11-20,29-39H,10,21-23H2,1-9H3,(H,41,43)(H,42,44)/t29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+/m1/s1
InChIKey VLVTYNYMEZZKCQ-INHVJFQRSA-N
Literature Reference Author J.HANSSON,P.J.GAREGG,S.OSCARSON
Literature Reference Citation J.ORG.CHEM.,66,6234(2001)
Literature Reference DOI 10.1021/jo001302m
Molecular Weight 803.053 g/mol
Solvent CDCl3
Source File Reference UWVN24556