| SpectraBase Spectrum ID |
IyW9FDMmStm |
| Name |
Cyathiformine-B, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.116211517 u |
| Formula |
C18H22O11 |
| InChI |
InChI=1S/C18H22O11/c1-8(17(22)24-5)26-13-7-12(18(23)25-6)14(27-9(2)19)16(29-11(4)21)15(13)28-10(3)20/h7,13-16H,1H2,2-6H3/t13-,14+,15+,16-/m1/s1 |
| InChIKey |
BGGBHPIRWCHCIF-FXUDXRNXSA-N |
| Molecular Weight |
414.363 g/mol |
| SMILES |
[C@]1(OC(C(=O)OC)=C)(C=C(C(OC)=O)[C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924836 |
