| SpectraBase Compound ID | 5qPNRBgKiz2 |
|---|---|
| InChI | InChI=1S/C36H46N2O9/c1-22(2)17-30(35(42)38-31-20-29(46-23(3)39)16-13-27(31)19-32(38)36(43)44-5)37-34(41)33(47-24(4)40)18-25-11-14-28(15-12-25)45-21-26-9-7-6-8-10-26/h6-12,14-15,22,27,29-33H,13,16-21H2,1-5H3,(H,37,41)/t27-,29-,30+,31-,32+,33+/m1/s1 |
| InChIKey | PRQQFJNUHWCTMS-YTXFUCAWSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C36H46N2O9 |
| Exact Mass | 650.320331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCBzfHxEOUk |
|---|---|
| Name | ACO-L-HPLA(BN)-D-LEU-3A,7A-DIEPI-L-CHOI(OAC)-OME;TRANS-ROTAMER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46N2O9 |
| InChI | InChI=1S/C36H46N2O9/c1-22(2)17-30(35(42)38-31-20-29(46-23(3)39)16-13-27(31)19-32(38)36(43)44-5)37-34(41)33(47-24(4)40)18-25-11-14-28(15-12-25)45-21-26-9-7-6-8-10-26/h6-12,14-15,22,27,29-33H,13,16-21H2,1-5H3,(H,37,41)/t27-,29-,30+,31-,32+,33+/m1/s1 |
| InChIKey | PRQQFJNUHWCTMS-YTXFUCAWSA-N |
| Literature Reference Author | N.VALLS,M.VALLRIBERA,S.CARMELI,J.BONJOCH |
| Literature Reference Citation | ORG.LETTERS,5,447(2003) |
| Literature Reference DOI | 10.1021/ol0273250 |
| Molecular Weight | 650.769 g/mol |
| Sample ID | 49443 |
| Solvent | CDCl3 |