![(1S,5S)-3-DIMETHYLAMINO-8-EXO-HYDROXYMETHYL-7-ENDO-HYDROXY-2-OXA-43.3.0]-OCT-3-EN-6-EXO-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-](/api/spectrum/9OooSjIiZ7W/structure.png?h=300&w=458 "(1S,5S)-3-DIMETHYLAMINO-8-EXO-HYDROXYMETHYL-7-ENDO-HYDROXY-2-OXA-43.3.0]-OCT-3-EN-6-EXO-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA-")
| SpectraBase Compound ID | HqTxocU1Ulg |
|---|---|
| InChI | InChI=1S/C25H42N4O14/c1-8(33)26-13-18(37)17(36)11(6-31)39-23(13)41-21-12(7-32)40-24(14(19(21)38)27-9(2)34)42-22-15-20(10(5-30)16(22)35)43-25(28-15)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,20+,21-,22-,23-,24+/m0/s1 |
| InChIKey | JKZWXCROKVWNOA-ZWTFRHDUSA-N |
| Mol Weight | 622.6 g/mol |
| Molecular Formula | C25H42N4O14 |
| Exact Mass | 622.269752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OooSjIiZ7W |
|---|---|
| Name | (1S,5S)-3-DIMETHYLAMINO-8-EXO-HYDROXYMETHYL-7-ENDO-HYDROXY-2-OXA-43.3.0]-OCT-3-EN-6-EXO-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-2-DEOXY-BETA- |
| Compound Number | 59 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42N4O14 |
| InChI | InChI=1S/C25H42N4O14/c1-8(33)26-13-18(37)17(36)11(6-31)39-23(13)41-21-12(7-32)40-24(14(19(21)38)27-9(2)34)42-22-15-20(10(5-30)16(22)35)43-25(28-15)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,20+,21-,22-,23-,24+/m0/s1 |
| InChIKey | JKZWXCROKVWNOA-ZWTFRHDUSA-N |
| Literature Reference Author | R.BLATTNER,R.H.FURNEAUX,T.KEMMITT,P.C.TYLER,R.J.FERRIER,A.K. TIDEN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3411(1994) |
| Literature Reference DOI | 10.1039/p19940003411 |
| Molecular Weight | 622.627 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU4432 |