| SpectraBase Compound ID | 24cPJGWovvl |
|---|---|
| InChI | InChI=1S/C41H63NO14/c1-11-13-14-15-17-21-29(45)52-33-31-30(25(4)32(33)53-35(46)24(3)12-2)34-41(50,40(10,49)36(47)54-34)27(23-39(31,9)55-26(5)43)51-28(44)20-18-16-19-22-42-37(48)56-38(6,7)8/h12,27,31-34,49-50H,11,13-23H2,1-10H3,(H,42,48)/b24-12-/t27-,31+,32-,33-,34-,39-,40+,41+/m0/s1 |
| InChIKey | YDGKXEJUJLXZGL-ATXWEJIYSA-N |
| Mol Weight | 793.9 g/mol |
| Molecular Formula | C41H63NO14 |
| Exact Mass | 793.424856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dh4gzbeCZ3b |
|---|---|
| Name | 8-O-(6-TERT.-BUTOXYCARBONYLAMINOHEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 13F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H63NO14 |
| InChI | InChI=1S/C41H63NO14/c1-11-13-14-15-17-21-29(45)52-33-31-30(25(4)32(33)53-35(46)24(3)12-2)34-41(50,40(10,49)36(47)54-34)27(23-39(31,9)55-26(5)43)51-28(44)20-18-16-19-22-42-37(48)56-38(6,7)8/h12,27,31-34,49-50H,11,13-23H2,1-10H3,(H,42,48)/b24-12-/t27-,31+,32-,33-,34-,39-,40+,41+/m0/s1 |
| InChIKey | YDGKXEJUJLXZGL-ATXWEJIYSA-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 | 793.950 g/mol |
| Sample ID | 45248 |
| Solvent | CDCl3 |