| SpectraBase Spectrum ID |
11ZrCCNiYe2 |
| Name |
L-(2R,3R)-4-(3-benzylcarbamoyl-2,3-dihydroxy-propionamidomethyl)-cyclohexylcarboxylate methyl ester |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28N2O6 |
| InChI |
InChI=1S/C20H28N2O6/c1-28-20(27)15-9-7-14(8-10-15)12-22-19(26)17(24)16(23)18(25)21-11-13-5-3-2-4-6-13/h2-6,14-17,23-24H,7-12H2,1H3,(H,21,25)(H,22,26)/t14?,15?,16-,17-/m1/s1 |
| InChIKey |
PSOBDHGWXGNLSW-BHUNQDJPSA-N |
| Instrument Name |
Micromass ZabSpec |
| Ionization Type |
EI |
| Molecular Weight |
392.452 g/mol |
| Optical Rotation |
[a]D20 = +83.9 (20mg/2ml, CH3OH) |
| Reported Formula |
C20H28N2O6 |
| SMILES |
N(CC1CCC(CC1)C(=O)OC)C([C@@]([C@](C(NCc1ccccc1)=O)(O)[H])(O)[H])=O |
| SPLASH |
splash10-052f-9081000000-c5aab3b9e8c57b071007 |
| Source of Spectrum |
CN101209976B |
| Wiley ID |
1844539 |
