| SpectraBase Compound ID | E38VIjbNhq6 |
|---|---|
| InChI | InChI=1S/2C39H55BF2N6O7/c2*1-22(2)32(46-37(52)48-15-11-14-43-48)35(50)45-33(23(3)4)36(51)47-20-26(53-21-24-12-9-8-10-13-24)18-27(47)34(49)44-30(19-31(41)42)40-54-29-17-25-16-28(38(25,5)6)39(29,7)55-40/h2*8-15,22-23,25-33H,16-21H2,1-7H3,(H,44,49)(H,45,50)(H,46,52)/t2*25?,26?,27?,28?,29?,30-,32?,33?,39-/m00/s1 |
| InChIKey | VMJQYACCBBAIEW-KBEGSDMASA-N |
| Mol Weight | 1537.4 g/mol |
| Molecular Formula | C78H110B2F4N12O14 |
| Exact Mass | 1536.838669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASjV5IgdsZo |
|---|---|
| Name | VMJQYACCBBAIEW-KBEGSDMASA-N |
| Compound Number | 25B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H110B2F4N12O14 |
| InChI | InChI=1S/2C39H55BF2N6O7/c2*1-22(2)32(46-37(52)48-15-11-14-43-48)35(50)45-33(23(3)4)36(51)47-20-26(53-21-24-12-9-8-10-13-24)18-27(47)34(49)44-30(19-31(41)42)40-54-29-17-25-16-28(38(25,5)6)39(29,7)55-40/h2*8-15,22-23,25-33H,16-21H2,1-7H3,(H,44,49)(H,45,50)(H,46,52)/t2*25?,26?,27?,28?,29?,30-,32?,33?,39-/m00/s1 |
| InChIKey | VMJQYACCBBAIEW-KBEGSDMASA-N |
| Literature Reference Author | S.JAGANNATHAN,T.P.FORSYTH,C.A.KETTNER |
| Literature Reference Citation | J.ORG.CHEM.,66,6375(2001) |
| Literature Reference DOI | 10.1021/jo015753y |
| Molecular Weight | 1537.417 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN24723 |