| SpectraBase Spectrum ID |
3GBPJPBc0fG |
| Name |
2-Amino-5-cyano-3-[3'-(1',2':5',6'-diisopropylidene)-.alpha.,D-glucofuranoxycarbonyl]-4,6-diphenyl-4H-pyran |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
560.215865990 u |
| Formula |
C31H32N2O8 |
| InChI |
InChI=1S/C31H32N2O8/c1-30(2)35-16-20(39-30)24-25(26-29(38-24)41-31(3,4)40-26)37-28(34)22-21(17-11-7-5-8-12-17)19(15-32)23(36-27(22)33)18-13-9-6-10-14-18/h5-14,20-21,24-26,29H,16,33H2,1-4H3/t20-,21?,24-,25+,26+,29+/m1/s1 |
| InChIKey |
QXGQAKKWMLWNPE-YMMKGNFVSA-N |
| Molecular Weight |
560.603 g/mol |
| SMILES |
C1(=C(OC(=C(C1C1=CC=CC=C1)C#N)C=1C=CC=CC1)N)C(O[C@@]1([C@]2([C@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H])=O |
![2-Amino-5-cyano-3-[3'-(1',2':5',6'-diisopropylidene)-.alpha.,D-glucofuranoxycarbonyl]-4,6-diphenyl-4H-pyran](/api/spectrum/3GBPJPBc0fG/structure.png?h=300&w=458 "2-Amino-5-cyano-3-[3'-(1',2':5',6'-diisopropylidene)-.alpha.,D-glucofuranoxycarbonyl]-4,6-diphenyl-4H-pyran")
