| SpectraBase Compound ID | G482xzbgqaQ |
|---|---|
| InChI | InChI=1S/C87H106N8O22/c1-85(82(108)109,48-116-83(110)86(2,50-112-74(100)36-32-70(96)92-40-8-20-66(92)78(104)88-62-28-24-54-12-4-16-58(54)44-62)51-113-75(101)37-33-71(97)93-41-9-21-67(93)79(105)89-63-29-25-55-13-5-17-59(55)45-63)49-117-84(111)87(3,52-114-76(102)38-34-72(98)94-42-10-22-68(94)80(106)90-64-30-26-56-14-6-18-60(56)46-64)53-115-77(103)39-35-73(99)95-43-11-23-69(95)81(107)91-65-31-27-57-15-7-19-61(57)47-65/h24-31,44-47,66-69H,4-23,32-43,48-53H2,1-3H3,(H,88,104)(H,89,105)(H,90,106)(H,91,107)(H,108,109) |
| InChIKey | VUIIUGVRZBNQRN-UHFFFAOYSA-N |
| Mol Weight | 1615.8 g/mol |
| Molecular Formula | C87H106N8O22 |
| Exact Mass | 1614.742167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQ75KIbmeUr |
|---|---|
| Name | VUIIUGVRZBNQRN-UHFFFAOYSA-N |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C87H106N8O22 |
| InChI | InChI=1S/C87H106N8O22/c1-85(82(108)109,48-116-83(110)86(2,50-112-74(100)36-32-70(96)92-40-8-20-66(92)78(104)88-62-28-24-54-12-4-16-58(54)44-62)51-113-75(101)37-33-71(97)93-41-9-21-67(93)79(105)89-63-29-25-55-13-5-17-59(55)45-63)49-117-84(111)87(3,52-114-76(102)38-34-72(98)94-42-10-22-68(94)80(106)90-64-30-26-56-14-6-18-60(56)46-64)53-115-77(103)39-35-73(99)95-43-11-23-69(95)81(107)91-65-31-27-57-15-7-19-61(57)47-65/h24-31,44-47,66-69H,4-23,32-43,48-53H2,1-3H3,(H,88,104)(H,89,105)(H,90,106)(H,91,107)(H,108,109) |
| InChIKey | VUIIUGVRZBNQRN-UHFFFAOYSA-N |
| Literature Reference Author | F.H.LING,V.LU,F.SVEC,J.M.J.FRECHET |
| Literature Reference Citation | J.ORG.CHEM.,67,1993(2002) |
| Literature Reference DOI | 10.1021/jo011005x |
| Molecular Weight | 1615.839 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24050 |