| SpectraBase Compound ID | 4Or9vrUfcdD |
|---|---|
| InChI | InChI=1S/C36H55NO12/c1-8-10-11-12-14-18-26(40)46-30-28-27(22(4)29(30)47-32(41)21(3)9-2)31-36(44,35(7,43)33(42)48-31)24(20-34(28,6)49-23(5)38)45-25(39)17-15-13-16-19-37/h9,24,28-31,43-44H,8,10-20,37H2,1-7H3/b21-9-/t24-,28+,29-,30-,31-,34-,35+,36+/m0/s1 |
| InChIKey | RWJHORPQJYOUAT-IUJFZDFGSA-N |
| Mol Weight | 693.8 g/mol |
| Molecular Formula | C36H55NO12 |
| Exact Mass | 693.372426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hEzfz7BzAy |
|---|---|
| Name | 8-O-(6-AMINOHEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 6F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H55NO12 |
| InChI | InChI=1S/C36H55NO12/c1-8-10-11-12-14-18-26(40)46-30-28-27(22(4)29(30)47-32(41)21(3)9-2)31-36(44,35(7,43)33(42)48-31)24(20-34(28,6)49-23(5)38)45-25(39)17-15-13-16-19-37/h9,24,28-31,43-44H,8,10-20,37H2,1-7H3/b21-9-/t24-,28+,29-,30-,31-,34-,35+,36+/m0/s1 |
| InChIKey | RWJHORPQJYOUAT-IUJFZDFGSA-N |
| Literature Reference Author | C.M.JAKOBSEN,S.R.DENMEADE,J.T.ISAACS,A.GADY,C.E.OLSEN,S.B.CH RISTENSEN |
| Literature Reference Citation | J.MED.CHEM.,44,4696(2001) |
| Literature Reference DOI | 10.1021/jm010985a |
| Molecular Weight | 693.832 g/mol |
| Sample ID | 45253 |
| Solvent | CDCl3 |