| SpectraBase Compound ID | DjjSZDElR0L |
|---|---|
| InChI | InChI=1S/C32H58N2O11/c1-12-22-32(8,40)27(38)18(4)24(36)16(2)14-31(7,41-11)28(45-30-25(37)21(34(9)10)13-17(3)42-30)19(5)26(44-23(35)15-33)20(6)29(39)43-22/h16-22,25-28,30,37-38,40H,12-15,33H2,1-11H3/t16-,17-,18+,19+,20-,21+,22-,25-,26+,27-,28-,30+,31+,32-/m1/s1 |
| InChIKey | RITMQKSMSILIEZ-SYYQYNCPSA-N |
| Mol Weight | 646.8 g/mol |
| Molecular Formula | C32H58N2O11 |
| Exact Mass | 646.404061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DibbzWDDn3C |
|---|---|
| Name | RITMQKSMSILIEZ-SYYQYNCPSA-N |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H58N2O11 |
| InChI | InChI=1S/C32H58N2O11/c1-12-22-32(8,40)27(38)18(4)24(36)16(2)14-31(7,41-11)28(45-30-25(37)21(34(9)10)13-17(3)42-30)19(5)26(44-23(35)15-33)20(6)29(39)43-22/h16-22,25-28,30,37-38,40H,12-15,33H2,1-11H3/t16-,17-,18+,19+,20-,21+,22-,25-,26+,27-,28-,30+,31+,32-/m1/s1 |
| InChIKey | RITMQKSMSILIEZ-SYYQYNCPSA-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 | 646.819 g/mol |
| Sample ID | 45172 |
| Solvent | CDCl3 |