| SpectraBase Spectrum ID |
98WA3j3Uhfq |
| Name |
(2'S,2rs,2''S)-N-Benzyl-1-(N-(2',3'-o-isopropylideneglycerol)amino-3-(2'',3''-o-isipropylideneglycerol)propan-2-ol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.246437845 u |
| Formula |
C22H35NO6 |
| InChI |
InChI=1S/C22H35NO6/c1-21(2)26-15-19(28-21)12-23(10-17-8-6-5-7-9-17)11-18(24)13-25-14-20-16-27-22(3,4)29-20/h5-9,18-20,24H,10-16H2,1-4H3/t18?,19-,20-/m0/s1 |
| InChIKey |
LKEFPYUIHZTHPI-YPJRHXLCSA-N |
| Molecular Weight |
409.523 g/mol |
| SMILES |
C1(O[C@@](CN(CC(O)COC[C@@]2(OC(C)(C)OC2)[H])CC=2C=CC=CC2)(CO1)[H])(C)C |
