| SpectraBase Compound ID | Bv2fPpZ4TdP |
|---|---|
| InChI | InChI=1S/C42H70N2O11/c1-12-32-42(8,48)37(46)27(4)34(43-51-24-30-18-14-13-15-19-30)25(2)23-41(7,49-11)38(55-40-35(45)31(44(9)10)22-26(3)52-40)28(5)36(29(6)39(47)53-32)54-33-20-16-17-21-50-33/h13-15,18-19,25-29,31-33,35-38,40,45-46,48H,12,16-17,20-24H2,1-11H3/b43-34+/t25-,26-,27+,28+,29-,31+,32-,33?,35-,36+,37-,38-,40+,41+,42-/m1/s1 |
| InChIKey | XAGJWAFAARKIED-DQQFWBTNSA-N |
| Mol Weight | 779.0 g/mol |
| Molecular Formula | C42H70N2O11 |
| Exact Mass | 778.497961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZS1qPKFaIv |
|---|---|
| Name | XAGJWAFAARKIED-DQQFWBTNSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70N2O11 |
| InChI | InChI=1S/C42H70N2O11/c1-12-32-42(8,48)37(46)27(4)34(43-51-24-30-18-14-13-15-19-30)25(2)23-41(7,49-11)38(55-40-35(45)31(44(9)10)22-26(3)52-40)28(5)36(29(6)39(47)53-32)54-33-20-16-17-21-50-33/h13-15,18-19,25-29,31-33,35-38,40,45-46,48H,12,16-17,20-24H2,1-11H3/b43-34+/t25-,26-,27+,28+,29-,31+,32-,33?,35-,36+,37-,38-,40+,41+,42-/m1/s1 |
| InChIKey | XAGJWAFAARKIED-DQQFWBTNSA-N |
| Literature Reference Author | T.TANIKAWA,T.ASAKA,M.KASHIMURA,Y.MISAWA,K.SUZUKI,M.SATO,K.KA MEO,S.MORIMOTO,A.NIS |
| Literature Reference Citation | J.MED.CHEM.,44,4027(2001) |
| Literature Reference DOI | 10.1021/jm015566s |
| Molecular Weight | 779.025 g/mol |
| Sample ID | 45182 |
| Solvent | CDCl3 |