| SpectraBase Compound ID | 320uyqpy2kv |
|---|---|
| InChI | InChI=1S/C81H88B3N13O17/c1-77(2,3)111-76(104)85-36-19-35-78-46-79(73(101)86-61(70(98)108-43-52-20-7-4-8-21-52)32-37-95-40-64(89-92-95)67-55-26-13-16-29-58(55)82(105)112-67)49-80(47-78,74(102)87-62(71(99)109-44-53-22-9-5-10-23-53)33-38-96-41-65(90-93-96)68-56-27-14-17-30-59(56)83(106)113-68)51-81(48-78,50-79)75(103)88-63(72(100)110-45-54-24-11-6-12-25-54)34-39-97-42-66(91-94-97)69-57-28-15-18-31-60(57)84(107)114-69/h4-18,20-31,40-42,61-63,67-69,105-107H,19,32-39,43-51H2,1-3H3,(H,85,104)(H,86,101)(H,87,102)(H,88,103)/t61-,62-,63+,67?,68?,69?,78-,79-,80+,81-/m0/s1 |
| InChIKey | UVNPRYBSVCJYMI-UVZBPUNUSA-N |
| Mol Weight | 1548.1 g/mol |
| Molecular Formula | C81H88B3N13O17 |
| Exact Mass | 1547.670029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4FJecH3C0x |
|---|---|
| Name | UVNPRYBSVCJYMI-UVZBPUNUSA-N |
| Compound Number | 18D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H88B3N13O17 |
| InChI | InChI=1S/C81H88B3N13O17/c1-77(2,3)111-76(104)85-36-19-35-78-46-79(73(101)86-61(70(98)108-43-52-20-7-4-8-21-52)32-37-95-40-64(89-92-95)67-55-26-13-16-29-58(55)82(105)112-67)49-80(47-78,74(102)87-62(71(99)109-44-53-22-9-5-10-23-53)33-38-96-41-65(90-93-96)68-56-27-14-17-30-59(56)83(106)113-68)51-81(48-78,50-79)75(103)88-63(72(100)110-45-54-24-11-6-12-25-54)34-39-97-42-66(91-94-97)69-57-28-15-18-31-60(57)84(107)114-69/h4-18,20-31,40-42,61-63,67-69,105-107H,19,32-39,43-51H2,1-3H3,(H,85,104)(H,86,101)(H,87,102)(H,88,103)/t61-,62-,63+,67?,68?,69?,78-,79-,80+,81-/m0/s1 |
| InChIKey | UVNPRYBSVCJYMI-UVZBPUNUSA-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 | 1548.097 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT20180 |