| SpectraBase Compound ID | D12SwPH0yEd |
|---|---|
| InChI | InChI=1S/C61H71B2N9O12/c1-58(2,3)82-57(77)66-61-32-42-30-59(38-61,26-22-51(73)64-47(55(75)80-35-40-14-6-4-7-15-40)24-28-71-33-49(67-69-71)53-43-18-10-12-20-45(43)62(78)83-53)37-60(31-42,39-61)27-23-52(74)65-48(56(76)81-36-41-16-8-5-9-17-41)25-29-72-34-50(68-70-72)54-44-19-11-13-21-46(44)63(79)84-54/h4-21,33-34,42,47-48,53-54,78-79H,22-32,35-39H2,1-3H3,(H,64,73)(H,65,74)(H,66,77)/t42-,47+,48-,53?,54?,59+,60-,61- |
| InChIKey | MQYTVBVDIAWUGU-PBICQLSISA-N |
| Mol Weight | 1143.9 g/mol |
| Molecular Formula | C61H71B2N9O12 |
| Exact Mass | 1143.540829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FO3xrRvhEU6 |
|---|---|
| Name | MQYTVBVDIAWUGU-PBICQLSISA-N |
| Compound Number | 18B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H71B2N9O12 |
| InChI | InChI=1S/C61H71B2N9O12/c1-58(2,3)82-57(77)66-61-32-42-30-59(38-61,26-22-51(73)64-47(55(75)80-35-40-14-6-4-7-15-40)24-28-71-33-49(67-69-71)53-43-18-10-12-20-45(43)62(78)83-53)37-60(31-42,39-61)27-23-52(74)65-48(56(76)81-36-41-16-8-5-9-17-41)25-29-72-34-50(68-70-72)54-44-19-11-13-21-46(44)63(79)84-54/h4-21,33-34,42,47-48,53-54,78-79H,22-32,35-39H2,1-3H3,(H,64,73)(H,65,74)(H,66,77)/t42-,47+,48-,53?,54?,59+,60-,61- |
| InChIKey | MQYTVBVDIAWUGU-PBICQLSISA-N |
| Literature Reference Author | D.CLAES,M.HOLZAPFEL,N.CLAUSEN,W.MAISON |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,6361(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300769 |
| Molecular Weight | 1143.908 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT20178 |