| SpectraBase Spectrum ID |
2cT8719N4ML |
| Name |
1-Pyrrolidinecarboxylic acid, 2-[3,4,5-tris(acetyloxy)tetrahydro-2-furanyl]-, phenylmethyl ester, [2R-[2.alpha.(R*),3.alpha.,4.beta.,5.beta.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.168581444 u |
| Formula |
C22H27NO9 |
| InChI |
InChI=1S/C22H27NO9/c1-13(24)29-19-18(32-21(31-15(3)26)20(19)30-14(2)25)17-10-7-11-23(17)22(27)28-12-16-8-5-4-6-9-16/h4-6,8-9,17-21H,7,10-12H2,1-3H3/t17-,18?,19-,20+,21-/m1/s1 |
| InChIKey |
AEKYYKZAJVCAHK-JPGZLTHCSA-N |
| Molecular Weight |
449.456 g/mol |
| SMILES |
C1([C@]([C@](OC(=O)C)([C@@](O1)(OC(=O)C)[H])[H])(OC(=O)C)[H])[C@@]1(N(C(OCC=2C=CC=CC2)=O)CCC1)[H] |
![1-Pyrrolidinecarboxylic acid, 2-[3,4,5-tris(acetyloxy)tetrahydro-2-furanyl]-, phenylmethyl ester, [2R-[2.alpha.(R*),3.alpha.,4.beta.,5.beta.]]-](/api/spectrum/2cT8719N4ML/structure.png?h=300&w=458 "1-Pyrrolidinecarboxylic acid, 2-[3,4,5-tris(acetyloxy)tetrahydro-2-furanyl]-, phenylmethyl ester, [2R-[2.alpha.(R*),3.alpha.,4.beta.,5.beta.]]-")
