| SpectraBase Spectrum ID |
C3qgB3P4E9n |
| Name |
Aloin |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
22435 |
| Lot Number |
0510155-1 |
| CAS Registry Number |
8015-61-0 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O9 |
| IUPAC Name |
10-β-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone |
| InChI |
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21?/m1/s1 |
| InChIKey |
AFHJQYHRLPMKHU-GIWDNFATSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
Oc1cccc2C(C3O[C@@]([C@]([C@@]([C@]3(O)[H])(O)[H])(O)[H])(CO)[H])c3c(C(c12)=O)c(cc(c3)CO)O |
| Scans Performed |
2048 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
