| SpectraBase Spectrum ID |
Goo3PQBKZMi |
| Name |
Orcinol .beta.-D-glucoside, pentaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.158076330 u |
| Formula |
C23H28O12 |
| InChI |
InChI=1S/C23H28O12/c1-11-7-17(30-13(3)25)9-18(8-11)34-23-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)19(35-23)10-29-12(2)24/h7-9,19-23H,10H2,1-6H3/t19-,20-,21+,22-,23-/m1/s1 |
| InChIKey |
SIEIPXHJYAMQOE-XNBWIAOKSA-N |
| Molecular Weight |
496.465 g/mol |
| SMILES |
[C@@]1(OC2=CC(C)=CC(OC(=O)C)=C2)([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967991 |
