| SpectraBase Compound ID | JrtHU5fjJVu |
|---|---|
| InChI | InChI=1S/C38H59NO12/c1-8-10-11-13-16-20-28(42)48-32-30-29(24(4)31(32)49-34(43)23(3)9-2)33-38(46,37(7,45)35(44)50-33)26(22-36(30,6)51-25(5)40)47-27(41)19-17-14-12-15-18-21-39/h9,26,30-33,45-46H,8,10-22,39H2,1-7H3/b23-9-/t26-,30+,31-,32-,33-,36-,37+,38+/m0/s1 |
| InChIKey | QHDKSMATVZQART-HBGQMZGXSA-N |
| Mol Weight | 721.9 g/mol |
| Molecular Formula | C38H59NO12 |
| Exact Mass | 721.403726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EAQBk1TDIS |
|---|---|
| Name | 8-O-(8-AMINOOCTANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 6H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H59NO12 |
| InChI | InChI=1S/C38H59NO12/c1-8-10-11-13-16-20-28(42)48-32-30-29(24(4)31(32)49-34(43)23(3)9-2)33-38(46,37(7,45)35(44)50-33)26(22-36(30,6)51-25(5)40)47-27(41)19-17-14-12-15-18-21-39/h9,26,30-33,45-46H,8,10-22,39H2,1-7H3/b23-9-/t26-,30+,31-,32-,33-,36-,37+,38+/m0/s1 |
| InChIKey | QHDKSMATVZQART-HBGQMZGXSA-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 | 721.886 g/mol |
| Sample ID | 45255 |
| Solvent | CDCl3 |