| SpectraBase Compound ID | KGedBXTIbIH |
|---|---|
| InChI | InChI=1S/C31H41N3O6/c1-19(2)14-25(31(39)34-26-17-23(35)11-10-22(26)16-27(34)29(32)37)33-30(38)28(36)15-20-8-12-24(13-9-20)40-18-21-6-4-3-5-7-21/h3-9,12-13,19,22-23,25-28,35-36H,10-11,14-18H2,1-2H3,(H2,32,37)(H,33,38)/t22-,23-,25+,26-,27+,28+/m1/s1 |
| InChIKey | MLECWLNSNDEHAV-RKXDADGQSA-N |
| Mol Weight | 551.7 g/mol |
| Molecular Formula | C31H41N3O6 |
| Exact Mass | 551.299536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChQA52vZF0p |
|---|---|
| Name | HO-L-HPLA(BN)-D-LEU-L-CHOI-NH2;CIS-ROTAMER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H41N3O6 |
| InChI | InChI=1S/C31H41N3O6/c1-19(2)14-25(31(39)34-26-17-23(35)11-10-22(26)16-27(34)29(32)37)33-30(38)28(36)15-20-8-12-24(13-9-20)40-18-21-6-4-3-5-7-21/h3-9,12-13,19,22-23,25-28,35-36H,10-11,14-18H2,1-2H3,(H2,32,37)(H,33,38)/t22-,23-,25+,26-,27+,28+/m1/s1 |
| InChIKey | MLECWLNSNDEHAV-RKXDADGQSA-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 | 551.683 g/mol |
| Sample ID | 49445 |
| Solvent | DMSO-D6 |