| SpectraBase Spectrum ID |
AOjuHoWkedx |
| Name |
Poliothyrsoside. pentaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
616.179205696 u |
| Formula |
C30H32O14 |
| InChI |
InChI=1S/C30H32O14/c1-16(31)37-14-22-13-23(39-17(2)32)11-12-24(22)43-30-28(42-20(5)35)27(41-19(4)34)26(40-18(3)33)25(44-30)15-38-29(36)21-9-7-6-8-10-21/h6-13,25-28,30H,14-15H2,1-5H3/t25-,26-,27+,28-,30-/m1/s1 |
| InChIKey |
ISXNTLRIVADOQY-OVFYEYCDSA-N |
| Molecular Weight |
616.572 g/mol |
| SMILES |
[C@@]1(OC=2C=CC(OC(=O)C)=CC2COC(=O)C)([C@@]([C@]([C@@]([C@](O1)(COC(C1=CC=CC=C1)=O)[H])(OC(C)=O)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972119 |
