| SpectraBase Compound ID | HiPmocI3eRl |
|---|---|
| InChI | InChI=1S/C37H61NO12S/c1-12-28-37(8,43)32(41)23(4)29(39)21(2)19-36(7,46-11)33(49-35-30(40)27(38(9)10)18-22(3)47-35)24(5)31(25(6)34(42)48-28)50-51(44,45)20-26-16-14-13-15-17-26/h13-17,21-25,27-28,30-33,35,40-41,43H,12,18-20H2,1-11H3/t21-,22-,23+,24+,25-,27+,28-,30-,31+,32-,33-,35+,36+,37-/m1/s1 |
| InChIKey | SVWUXRDBIOYZAF-HDRVGBJUSA-N |
| Mol Weight | 743.9 g/mol |
| Molecular Formula | C37H61NO12S |
| Exact Mass | 743.391448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWPT6Gjx3pW |
|---|---|
| Name | SVWUXRDBIOYZAF-HDRVGBJUSA-N |
| Compound Number | 3I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H61NO12S |
| InChI | InChI=1S/C37H61NO12S/c1-12-28-37(8,43)32(41)23(4)29(39)21(2)19-36(7,46-11)33(49-35-30(40)27(38(9)10)18-22(3)47-35)24(5)31(25(6)34(42)48-28)50-51(44,45)20-26-16-14-13-15-17-26/h13-17,21-25,27-28,30-33,35,40-41,43H,12,18-20H2,1-11H3/t21-,22-,23+,24+,25-,27+,28-,30-,31+,32-,33-,35+,36+,37-/m1/s1 |
| InChIKey | SVWUXRDBIOYZAF-HDRVGBJUSA-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 | 743.951 g/mol |
| Sample ID | 45178 |
| Solvent | CDCl3 |