| SpectraBase Spectrum ID |
EtfYjhh4KRr |
| Name |
1-(3,4,5-Triacetoxy-tetrahydropyran-2-yl)-3-(.alpha.-ketopropanoic acid)-indole, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.132195935 u |
| Formula |
C22H23NO10 |
| InChI |
InChI=1S/C22H23NO10/c1-11(24)31-17-10-30-21(20(33-13(3)26)19(17)32-12(2)25)23-9-15(18(27)22(28)29-4)14-7-5-6-8-16(14)23/h5-9,17,19-21H,10H2,1-4H3/t17-,19+,20-,21-/m1/s1 |
| InChIKey |
AULVRRNNDIJWSV-GFOJFJKKSA-N |
| Molecular Weight |
461.423 g/mol |
| SMILES |
C(OC)(C(C1=CN([C@]2([C@](OC(C)=O)([C@]([C@@](CO2)(OC(C)=O)[H])(OC(=O)C)[H])[H])[H])C=2C1=CC=CC2)=O)=O |
