| SpectraBase Spectrum ID |
2dRBBLOaLXE |
| Name |
1-o-[2'-(3'',4''-Methylenedioxy)phenyl]propionyl - 2,3 ; 4,5-bis[o-isopropylidene]-.beta.-D-fructopyranose |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.173332473 u |
| Formula |
C22H28O9 |
| InChI |
InChI=1S/C22H28O9/c1-20(2)28-16-10-27-22(19(18(16)29-20)30-21(3,4)31-22)11-24-17(23)8-6-13-5-7-14-15(9-13)26-12-25-14/h5,7,9,16,18-19H,6,8,10-12H2,1-4H3/t16-,18-,19+,22+/m1/s1 |
| InChIKey |
NTOJWIGTKWOJBB-GZHDQSLTSA-N |
| Molecular Weight |
436.457 g/mol |
| SMILES |
[C@]12([C@]([C@@]3(OC(C)(C)O[C@@]3(CO2)[H])[H])(OC(O1)(C)C)[H])COC(=O)CCC=1C=C2OCOC2=CC1 |
![1-O-[2'-(3",4"-Methylenedioxy)phenyl]propionyl - 2,3 ; 4,5-bis[O-isopropylidene]-.beta.-d-fructopyranose](/api/spectrum/2dRBBLOaLXE/structure.png?h=300&w=458 "1-O-[2'-(3\",4\"-Methylenedioxy)phenyl]propionyl - 2,3 ; 4,5-bis[O-isopropylidene]-.beta.-d-fructopyranose")
