| SpectraBase Compound ID | 9Omz8hHW8hm |
|---|---|
| InChI | InChI=1S/C95H102N4O27/c1-51-52(2)84(103)96(83(51)102)71-79(114-45-64-36-24-15-25-37-64)75(67(47-111-42-61-30-18-12-19-31-61)120-93(71)125-77-68(48-112-43-62-32-20-13-21-33-62)119-92(110-11)73(81(77)117-59(9)100)98-87(106)55(5)56(6)88(98)107)124-95-74(99-89(108)57(7)58(8)90(99)109)82(118-60(10)101)78(69(121-95)49-113-44-63-34-22-14-23-35-63)126-94-72(97-85(104)53(3)54(4)86(97)105)80(115-46-65-38-26-16-27-39-65)76-70(122-94)50-116-91(123-76)66-40-28-17-29-41-66/h12-41,67-82,91-95H,42-50H2,1-11H3/t67-,68-,69+,70+,71-,72+,73-,74+,75-,76+,77-,78+,79-,80+,81-,82+,91?,92-,93+,94-,95-/m0/s1 |
| InChIKey | NADSTFPWHSTRJJ-ROTMBLBTSA-N |
| Mol Weight | 1731.9 g/mol |
| Molecular Formula | C95H102N4O27 |
| Exact Mass | 1730.673144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5tjrxsDP8e |
|---|---|
| Name | #29;METHYL-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-2-DIMETHYLMALEIMIDO-BETA-D-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-6-O-BENZYL-2-DEOXY-2-DIMETHYLMALEIMIDO-BETA-D-GLUCO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C95H102N4O27 |
| InChI | InChI=1S/C95H102N4O27/c1-51-52(2)84(103)96(83(51)102)71-79(114-45-64-36-24-15-25-37-64)75(67(47-111-42-61-30-18-12-19-31-61)120-93(71)125-77-68(48-112-43-62-32-20-13-21-33-62)119-92(110-11)73(81(77)117-59(9)100)98-87(106)55(5)56(6)88(98)107)124-95-74(99-89(108)57(7)58(8)90(99)109)82(118-60(10)101)78(69(121-95)49-113-44-63-34-22-14-23-35-63)126-94-72(97-85(104)53(3)54(4)86(97)105)80(115-46-65-38-26-16-27-39-65)76-70(122-94)50-116-91(123-76)66-40-28-17-29-41-66/h12-41,67-82,91-95H,42-50H2,1-11H3/t67-,68-,69+,70+,71-,72+,73-,74+,75-,76+,77-,78+,79-,80+,81-,82+,91?,92-,93+,94-,95-/m0/s1 |
| InChIKey | NADSTFPWHSTRJJ-ROTMBLBTSA-N |
| Literature Reference Author | D.HESEK,M.LEE,K.I.MORIO,S.MOBASHERY |
| Literature Reference Citation | J.ORG.CHEM.,69,2137(2004) |
| Literature Reference DOI | 10.1021/jo035583k |
| Molecular Weight | 1731.865 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVN21961 |