| SpectraBase Compound ID | 42PDJGsZUpG |
|---|---|
| InChI | InChI=1S/C40H68N8O20/c1-16(33(56)44-18(3)37(60)61)43-36(59)22(10-8-9-13-41)47-26(53)12-11-23(38(62)63)48-34(57)17(2)42-35(58)19(4)65-32-28(46-21(6)52)39(64-7)67-25(15-50)31(32)68-40-27(45-20(5)51)30(55)29(54)24(14-49)66-40/h16-19,22-25,27-32,39-40,49-50,54-55H,8-15,41H2,1-7H3,(H,42,58)(H,43,59)(H,44,56)(H,45,51)(H,46,52)(H,47,53)(H,48,57)(H,60,61)(H,62,63)/t16-,17+,18-,19-,22+,23-,24-,25-,27-,28-,29-,30-,31-,32-,39-,40+/m1/s1 |
| InChIKey | WURUWPCENNTNBT-YPNUVTICSA-N |
| Mol Weight | 981.0 g/mol |
| Molecular Formula | C40H68N8O20 |
| Exact Mass | 980.454987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcAlv7mnxMy |
|---|---|
| Name | WURUWPCENNTNBT-YPNUVTICSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68N8O20 |
| InChI | InChI=1S/C40H68N8O20/c1-16(33(56)44-18(3)37(60)61)43-36(59)22(10-8-9-13-41)47-26(53)12-11-23(38(62)63)48-34(57)17(2)42-35(58)19(4)65-32-28(46-21(6)52)39(64-7)67-25(15-50)31(32)68-40-27(45-20(5)51)30(55)29(54)24(14-49)66-40/h16-19,22-25,27-32,39-40,49-50,54-55H,8-15,41H2,1-7H3,(H,42,58)(H,43,59)(H,44,56)(H,45,51)(H,46,52)(H,47,53)(H,48,57)(H,60,61)(H,62,63)/t16-,17+,18-,19-,22+,23-,24-,25-,27-,28-,29-,30-,31-,32-,39-,40+/m1/s1 |
| InChIKey | WURUWPCENNTNBT-YPNUVTICSA-N |
| Literature Reference Author | D.HESEK,M.SUVOROV,K.MORIO,M.LEE,S.BROWN,S.B.VAKULENKO,S.MOBA SHERY |
| Literature Reference Citation | J.ORG.CHEM.,69,778(2004) |
| Literature Reference DOI | 10.1021/jo035397e |
| Molecular Weight | 981.022 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN21551 |