| SpectraBase Compound ID | 3B6Fh4ufaUR |
|---|---|
| InChI | InChI=1S/C37H66N2O13/c1-15-25-37(11,46)30(43)21(4)27(41)19(2)17-36(10,47-14)31(51-33-28(42)24(39(12)13)16-20(3)48-33)22(5)29(23(6)32(44)49-25)50-26(40)18-38-34(45)52-35(7,8)9/h19-25,28-31,33,42-43,46H,15-18H2,1-14H3,(H,38,45)/t19-,20-,21+,22+,23-,24+,25-,28-,29+,30-,31-,33+,36+,37-/m1/s1 |
| InChIKey | OFKRIHPYBKZGFK-NASVQKKGSA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C37H66N2O13 |
| Exact Mass | 746.45649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Qn1CDBS8J |
|---|---|
| Name | OFKRIHPYBKZGFK-NASVQKKGSA-N |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66N2O13 |
| InChI | InChI=1S/C37H66N2O13/c1-15-25-37(11,46)30(43)21(4)27(41)19(2)17-36(10,47-14)31(51-33-28(42)24(39(12)13)16-20(3)48-33)22(5)29(23(6)32(44)49-25)50-26(40)18-38-34(45)52-35(7,8)9/h19-25,28-31,33,42-43,46H,15-18H2,1-14H3,(H,38,45)/t19-,20-,21+,22+,23-,24+,25-,28-,29+,30-,31-,33+,36+,37-/m1/s1 |
| InChIKey | OFKRIHPYBKZGFK-NASVQKKGSA-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 | 746.937 g/mol |
| Sample ID | 45173 |
| Solvent | CDCl3 |