| SpectraBase Compound ID | ALF8KUMEkBF |
|---|---|
| InChI | InChI=1S/C85H104N4O25Si/c1-13-44-100-71-72(103-49-61-40-28-18-29-41-61)77(105-55(4)92)83(112-75(71)79(94)96-9)110-68-64(52-99-46-58-34-22-15-23-35-58)108-82(66(89(53(2)90)54(3)91)70(68)102-48-60-38-26-17-27-39-60)111-74-73(104-50-62-42-30-19-31-43-62)78(106-56(5)93)84(113-76(74)80(95)97-10)109-67-63(51-98-45-57-32-20-14-21-33-57)107-81(114-115(11,12)85(6,7)8)65(87-88-86)69(67)101-47-59-36-24-16-25-37-59/h13-43,63-78,81-84H,1,44-52H2,2-12H3/t63-,64+,65-,66+,67-,68+,69-,70+,71-,72-,73+,74+,75+,76-,77+,78-,81+,82+,83+,84-/m1/s1 |
| InChIKey | VQFNIKNSTXNBAF-CBCDNSGJSA-N |
| Mol Weight | 1609.9 g/mol |
| Molecular Formula | C85H104N4O25Si |
| Exact Mass | 1608.675891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5S3xnQwCH1m |
|---|---|
| Name | #21;TERT.-BUTYLDIMETHYLSILYL-[METHYL-[METHYL-(2-O-ACETYL-4-O-ALLYL-3-O-BENZYL-ALPHA-L-IDOPYRANOSID)-URONATE-(1->4)-2-N-ACETYLAMIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H104N4O25Si |
| InChI | InChI=1S/C85H104N4O25Si/c1-13-44-100-71-72(103-49-61-40-28-18-29-41-61)77(105-55(4)92)83(112-75(71)79(94)96-9)110-68-64(52-99-46-58-34-22-15-23-35-58)108-82(66(89(53(2)90)54(3)91)70(68)102-48-60-38-26-17-27-39-60)111-74-73(104-50-62-42-30-19-31-43-62)78(106-56(5)93)84(113-76(74)80(95)97-10)109-67-63(51-98-45-57-32-20-14-21-33-57)107-81(114-115(11,12)85(6,7)8)65(87-88-86)69(67)101-47-59-36-24-16-25-37-59/h13-43,63-78,81-84H,1,44-52H2,2-12H3/t63-,64+,65-,66+,67-,68+,69-,70+,71-,72-,73+,74+,75+,76-,77+,78-,81+,82+,83+,84-/m1/s1 |
| InChIKey | VQFNIKNSTXNBAF-CBCDNSGJSA-N |
| Literature Reference Author | G.J.S.LOHMAN,P.H.SEEBERGER |
| Literature Reference Citation | J.ORG.CHEM.,69,4081(2004) |
| Literature Reference DOI | 10.1021/jo035732z |
| Molecular Weight | 1609.858 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN21647 |