| SpectraBase Compound ID | 8qjkOkrzYIU |
|---|---|
| InChI | InChI=1S/C41H74N10O11/c1-22(2)31-36(57)49-32(23(3)4)37(58)51-33(25(6)52)38(59)47-28(21-29(42)54)35(56)46-24(5)40(61)62-26(7)34(39(60)50-31)48-30(55)20-27(53)18-16-14-12-10-8-9-11-13-15-17-19-45-41(43)44/h22-28,31-34,52-53H,8-21H2,1-7H3,(H2,42,54)(H,46,56)(H,47,59)(H,48,55)(H,49,57)(H,50,60)(H,51,58)(H4,43,44,45)/t24-,25+,26-,27+,28+,31+,32-,33+,34+/m0/s1 |
| InChIKey | ZQMLIVBQFXSJNR-BEKWQDRVSA-N |
| Mol Weight | 883.1 g/mol |
| Molecular Formula | C41H74N10O11 |
| Exact Mass | 882.553853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFYEyhUg6QU |
|---|---|
| Name | ZQMLIVBQFXSJNR-BEKWQDRVSA-N |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H74N10O11 |
| InChI | InChI=1S/C41H74N10O11/c1-22(2)31-36(57)49-32(23(3)4)37(58)51-33(25(6)52)38(59)47-28(21-29(42)54)35(56)46-24(5)40(61)62-26(7)34(39(60)50-31)48-30(55)20-27(53)18-16-14-12-10-8-9-11-13-15-17-19-45-41(43)44/h22-28,31-34,52-53H,8-21H2,1-7H3,(H2,42,54)(H,46,56)(H,47,59)(H,48,55)(H,49,57)(H,50,60)(H,51,58)(H4,43,44,45)/t24-,25+,26-,27+,28+,31+,32-,33+,34+/m0/s1 |
| InChIKey | ZQMLIVBQFXSJNR-BEKWQDRVSA-N |
| Literature Reference Author | J.R.COCHRANE,D.H.YOON,C.S.P.MCERLEAN,K.A.JOLLIFFE |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1344(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.154 |
| Molecular Weight | 883.099 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR11047 |