![#13;(2S,3R)-[2-[(3-ENDO-[1-(BENZYLOXYCARBONYL-METHYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-BICYCLO-[2.2.1]-HEPTA-2-ENDO-CARBONYL)-AMINO]-3-PHENYL-PROPIONYLAMINO]-](/api/spectrum/FX0HZhvS4zR/structure.png?h=300&w=458 "#13;(2S,3R)-[2-[(3-ENDO-[1-(BENZYLOXYCARBONYL-METHYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-BICYCLO-[2.2.1]-HEPTA-2-ENDO-CARBONYL)-AMINO]-3-PHENYL-PROPIONYLAMINO]-")
| SpectraBase Compound ID | 77od7oqt6L6 |
|---|---|
| InChI | InChI=1S/C40H46N4O8/c1-25(40(50)51-2)42-37(47)32(21-27-14-8-4-9-15-27)44-39(49)35-30-19-18-29(22-30)34(35)38(48)43-31(20-26-12-6-3-7-13-26)36(46)41-23-33(45)52-24-28-16-10-5-11-17-28/h3-17,25,29-32,34-35H,18-24H2,1-2H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t25-,29-,30+,31-,32-,34-,35+/m0/s1 |
| InChIKey | JOZZJIMEZHOQFX-NTXCMSQHSA-N |
| Mol Weight | 710.8 g/mol |
| Molecular Formula | C40H46N4O8 |
| Exact Mass | 710.331564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FX0HZhvS4zR |
|---|---|
| Name | #13;(2S,3R)-[2-[(3-ENDO-[1-(BENZYLOXYCARBONYL-METHYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-BICYCLO-[2.2.1]-HEPTA-2-ENDO-CARBONYL)-AMINO]-3-PHENYL-PROPIONYLAMINO]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46N4O8 |
| InChI | InChI=1S/C40H46N4O8/c1-25(40(50)51-2)42-37(47)32(21-27-14-8-4-9-15-27)44-39(49)35-30-19-18-29(22-30)34(35)38(48)43-31(20-26-12-6-3-7-13-26)36(46)41-23-33(45)52-24-28-16-10-5-11-17-28/h3-17,25,29-32,34-35H,18-24H2,1-2H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t25-,29-,30+,31-,32-,34-,35+/m0/s1 |
| InChIKey | JOZZJIMEZHOQFX-NTXCMSQHSA-N |
| Literature Reference Author | C.P.R.HACKENBERGER,I.SCHIFFERS,J.RUNSINK,C.BOLM |
| Literature Reference Citation | J.ORG.CHEM.,69,739(2004) |
| Literature Reference DOI | 10.1021/jo030295+ |
| Molecular Weight | 710.827 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN21535 |